 | | 7BU | | Name: | [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc | | Formula: | C24 H8 F12 N4 Zn | | SMILES: | N51C6=C(C8=N2C(=C(C(F)(F)F)c4ccc3C(C(F)(F)F)=C7N([Zn]12n34)=C(C(=C5C=C6)C(F)(F)F)C=C7)C=C8)C(F)(F)F | | InChi: | InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13 | | Synonyms: | [5,10,15,20-Tetrakis(trifluoromethyl)porphinato]zinc(II) | | Definition date: | 2016-09-29 | | Last modified: | 2021-03-13 | | Release date: | 2017-08-09 | | Identifier: | [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc |
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 | | 7C1 | | Name: | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide | | Formula: | C16 H13 N3 O2 | | SMILES: | O=C2c1cccc(c1C(=O)N2c3ccc(C(=[N@H])N)cc3)C | | InChi: | InChI=1S/C16H13N3O2/c1-9-3-2-4-12-13(9)16(21)19(15(12)20)11-7-5-10(6-8-11)14(17)18/h2-8H,1H3,(H3,17,18) | | Synonyms: | 4-(4-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1-carboximidamide | | Definition date: | 2009-08-06 | | Last modified: | 2021-03-13 | | Identifier: | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide |
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 | | 7CK | | Name: | 7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole | | Formula: | C21 H13 N3 O3 | | SMILES: | O=C(O)c5c4c1c6c(nc1c3c(c2ccccc2n3)c4c(O)n5)cccc6 | | InChi: | InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,22-25H,(H,26,27) | | Synonyms: | 7-HYDROXY-12,13-DIHYDRO-6H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5-CARBOXYLIC ACID | | Definition date: | 2007-09-06 | | Last modified: | 2021-03-13 | | Identifier: | 7-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid |
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 | | 7D6 | | Name: | (S)-orteronel | | Formula: | C18 H17 N3 O2 | | SMILES: | c2c1c(ccc(C(NC)=O)c1)cc(c2)C4(CCn3c4cnc3)O | | InChi: | InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1 | | Synonyms: | 6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide | | Definition date: | 2016-03-16 | | Last modified: | 2021-03-13 | | Release date: | 2017-03-15 | | Identifier: | 6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide |
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 | | 7DL | | Name: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Formula: | C29 H30 Cl2 N8 O3 | | SMILES: | C(=O)([C@H]=Cc1cc(Cl)ccc1n2nnnc2)NC4c5nc(c3ccc(NC(OC)=O)cc3CCCCCCC4)c(Cl)n5 | | InChi: | InChI=1S/C29H30Cl2N8O3/c1-42-29(41)33-21-11-12-22-18(16-21)7-5-3-2-4-6-8-23(28-35-26(22)27(31)36-28)34-25(40)14-9-19-15-20(30)10-13-24(19)39-17-32-37-38-39/h9-17,23H,2-8H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1 | | Synonyms: | methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate | | Definition date: | 2016-10-11 | | Last modified: | 2021-03-13 | | Release date: | 2017-03-01 | | Identifier: | methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate |
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 | | 7E1 | | Name: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid | | Formula: | C30 H27 Cl O7 S | | SMILES: | c1c(ccc(c1)O)C4=C(c2ccc([C@H]=CCCCC(O)=O)cc2)C5C(S(Oc3cc(Cl)ccc3)(=O)=O)CC4O5 | | InChi: | InChI=1S/C30H27ClO7S/c31-22-6-4-7-24(17-22)38-39(35,36)26-18-25-28(20-13-15-23(32)16-14-20)29(30(26)37-25)21-11-9-19(10-12-21)5-2-1-3-8-27(33)34/h2,4-7,9-17,25-26,30,32H,1,3,8,18H2,(H,33,34)/t25-,26+,30+/m0/s1 | | Synonyms: | (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid | | Definition date: | 2016-10-13 | | Last modified: | 2021-03-13 | | Release date: | 2017-01-18 | | Identifier: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid |
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 | | RS4 | | Name: | 7-ethyl-10-hydroxycamptothecin | | Formula: | C22 H20 N2 O5 | | SMILES: | c32c(CC)c1c(ccc(c1)O)nc2C=4N(C3)C(C5=C(C=4)C(C(OC5)=O)(CC)O)=O | | InChi: | InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1 | | Synonyms: | (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | | Definition date: | 2020-02-24 | | Last modified: | 2021-03-13 | | Release date: | 2020-05-13 | | Identifier: | (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione |
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 | | 7ED | | Name: | 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate | | Formula: | C42 H50 O8 | | SMILES: | CCC(C(c1ccc(O)cc1)C(OCCCCCCCCOC(=O)C(C(CC)c2ccc(cc2)O)c3ccc(cc3)O)=O)c4ccc(O)cc4 | | InChi: | InChI=1S/C42H50O8/c1-3-37(29-11-19-33(43)20-12-29)39(31-15-23-35(45)24-16-31)41(47)49-27-9-7-5-6-8-10-28-50-42(48)40(32-17-25-36(46)26-18-32)38(4-2)30-13-21-34(44)22-14-30/h11-26,37-40,43-46H,3-10,27-28H2,1-2H3/t37-,38?,39+,40?/m1/s1 | | Synonyms: | octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate) | | Definition date: | 2016-10-14 | | Last modified: | 2021-03-13 | | Release date: | 2017-01-18 | | Identifier: | 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate |
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 | | 7F6 | | Name: | (1R,2R)-1,2-diphenylethane-1,2-diol | | Formula: | C14 H14 O2 | | SMILES: | C(C(c1ccccc1)O)(O)c2ccccc2 | | InChi: | InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1 | | Synonyms: | cis-stilbene epoxide, bound form | | Definition date: | 2016-10-17 | | Last modified: | 2021-03-13 | | Release date: | 2017-10-11 | | Identifier: | (1R,2R)-1,2-diphenylethane-1,2-diol |
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 | | RT3 | | Name: | S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate | | Formula: | C19 H20 Cl N3 O4 S2 | | SMILES: | Cc1ccc2N(CCCc2c1)C(=O)SCC(=O)Nc3ccc(cc3Cl)[S](N)(=O)=O | | InChi: | InChI=1S/C19H20ClN3O4S2/c1-12-4-7-17-13(9-12)3-2-8-23(17)19(25)28-11-18(24)22-16-6-5-14(10-15(16)20)29(21,26)27/h4-7,9-10H,2-3,8,11H2,1H3,(H,22,24)(H2,21,26,27) | | Synonyms: | S-(2-{[4-(aminosulfonyl)-2-chlorophenyl]amino}-2-oxoethyl) 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate | | Definition date: | 2009-06-26 | | Last modified: | 2021-03-13 | | Identifier: | S-[2-[(2-chloro-4-sulfamoyl-phenyl)amino]-2-oxo-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate |
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 | | RT7 | | Name: | S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate | | Formula: | C18 H16 Cl3 N3 O4 S2 | | SMILES: | N[S](=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1 | | InChi: | InChI=1S/C18H16Cl3N3O4S2/c19-11-6-10-2-1-5-24(17(10)14(21)7-11)18(26)29-9-16(25)23-15-4-3-12(8-13(15)20)30(22,27)28/h3-4,6-8H,1-2,5,9H2,(H,23,25)(H2,22,27,28) | | Synonyms: | S-(2-{[4-(aminosulfonyl)-2-chlorophenyl]amino}-2-oxoethyl) 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate | | Definition date: | 2009-06-26 | | Last modified: | 2021-03-13 | | Identifier: | S-[2-[(2-chloro-4-sulfamoyl-phenyl)amino]-2-oxo-ethyl] 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbothioate |
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 | | 7G4 | | Name: | ruthenocene | | Formula: | C10 H10 Ru | | SMILES: | C1%12C%11C4C35 | | InChi: | InChI=1S/2C5H5.Ru/c2*1-2-4-5-3-1 | | Synonyms: | bis[(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium | | Definition date: | 2016-10-19 | | Last modified: | 2021-03-13 | | Release date: | 2017-11-08 | | Identifier: | bis[(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium |
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 | | 7GC | | Name: | 4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide | | Formula: | C11 H11 N3 O3 S2 | | SMILES: | Cc1ccc(cc1)S(NC(Nc2sccn2)=O)(=O)=O | | InChi: | InChI=1S/C11H11N3O3S2/c1-8-2-4-9(5-3-8)19(16,17)14-10(15)13-11-12-6-7-18-11/h2-7H,1H3,(H2,12,13,14,15) | | Synonyms: | 4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide | | Definition date: | 2016-10-19 | | Last modified: | 2021-03-13 | | Release date: | 2018-04-18 | | Identifier: | 4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide |
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 | | RU6 | | Name: | (3AS,4R,7R,8S,9S,10R,11R,13R,15R,15AR)-4-ETHYL-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-2,6,14-TRIOXO-1-[4-(4-PYRIDIN-3-YL-1H-IMIDAZOL-1-YL)BUTYL]-10-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}TETRADECAHYDRO-2H-OXACYCLOTETRADECINO[4,3-D][1,3]OXAZOL-8-YL 2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-ALPHA-L-RIBO-HEXOPYRANOSIDE | | Formula: | C51 H81 N5 O13 | | SMILES: | O=C6OC(CC)C3(OC(=O)N(CCCCn1cc(nc1)c2cccnc2)C3C(C(=O)C(C)CC(OC)(C)C(OC4OC(C)CC(N(C)C)C4O)C(C(OC5OC(C(O)C(OC)(C5)C)C)C6C)C)C)C | | InChi: | InChI=1S/C51H81N5O13/c1-15-38-51(10)43(56(48(61)69-51)22-17-16-21-55-27-36(53-28-55)35-19-18-20-52-26-35)31(4)40(57)29(2)24-50(9,63-14)45(68-47-41(58)37(54(11)12)23-30(3)64-47)32(5)42(33(6)46(60)66-38)67-39-25-49(8,62-13)44(59)34(7)65-39/h18-20,26-34,37-39,41-45,47,58-59H,15-17,21-25H2,1-14H3/t29-,30-,31+,32+,33-,34+,37+,38-,39+,41-,42+,43-,44+,45-,47+,49-,50-,51-/m1/s1 | | Synonyms: | (1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-DIMETHYLAMINO-3-HYDROXY-6-METHYL-OXAN-2-YL]OXY-13-ETHYL-9-[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYL-OXAN-2-YL]OXY-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-[4-(4-PYRIDIN-3-YLIMIDAZOL-1-YL)BUTYL]-12,15-DIOXA-17-AZABICYCLO[12.3.0]HEPTADECANE-3,11,16-TRIONE | | Definition date: | 2007-01-17 | | Last modified: | 2021-03-13 | | Identifier: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside |
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 | | RUT | | Name: | RUTIN | | Formula: | C27 H30 O16 | | SMILES: | O=C3C(OC1OC(C(O)C(O)C1O)COC2OC(C)C(O)C(O)C2O)=C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5 | | InChi: | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 | | Synonyms: | 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2004-01-06 | | Last modified: | 2021-03-13 | | Identifier: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
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 | | RV5 | | Name: | N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327 | | Formula: | C14 H17 N5 O2 S | | SMILES: | O=C(NCC(=O)N1CCCCC1)Nc2ccc3nnsc3c2 | | InChi: | InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21) | | Synonyms: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea | | Definition date: | 2020-10-22 | | Last modified: | 2021-03-13 | | Release date: | 2021-03-03 | | Identifier: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea |
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 | | RV8 | | Name: | Triglycidyl isocyanurate | | Formula: | C12 H15 N3 O6 | | SMILES: | O=C1N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C(=O)N1C[CH]4CO4 | | InChi: | InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2/t7-,8-,9-/m0/s1 | | Synonyms: | 1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione | | Definition date: | 2020-10-22 | | Last modified: | 2021-03-13 | | Release date: | 2020-12-02 | | Identifier: | 1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione |
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 | | 33N | | Name: | N-(3,3-diphenylpropyl)pyridine-3-carboxamide | | Formula: | C21 H20 N2 O | | SMILES: | O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3 | | InChi: | InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24) | | Synonyms: | N-(3,3-Diphenyl-propyl)-nicotinamide | | Definition date: | 2009-07-01 | | Last modified: | 2021-03-13 | | Identifier: | N-(3,3-diphenylpropyl)pyridine-3-carboxamide |
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 | | 34R | | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one | | Formula: | C30 H28 N6 O3 | | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N5N=Cc3ccccc3C5c4ccccc4 | | InChi: | InChI=1S/C30H28N6O3/c1-38-25-16-19(15-23-17-33-30(32)35-29(23)31)14-21(28(25)39-2)12-13-26(37)36-27(20-8-4-3-5-9-20)24-11-7-6-10-22(24)18-34-36/h3-14,16-18,27H,15H2,1-2H3,(H4,31,32,33,35)/b13-12+/t27-/m1/s1 | | Synonyms: | (R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one | | Definition date: | 2012-04-17 | | Last modified: | 2021-03-13 | | Release date: | 2013-02-08 | | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one |
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 | | 34S | | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one | | Formula: | C30 H28 N6 O3 | | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N5N=Cc3ccccc3C5c4ccccc4 | | InChi: | InChI=1S/C30H28N6O3/c1-38-25-16-19(15-23-17-33-30(32)35-29(23)31)14-21(28(25)39-2)12-13-26(37)36-27(20-8-4-3-5-9-20)24-11-7-6-10-22(24)18-34-36/h3-14,16-18,27H,15H2,1-2H3,(H4,31,32,33,35)/b13-12+/t27-/m0/s1 | | Synonyms: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one | | Definition date: | 2012-04-17 | | Last modified: | 2021-03-13 | | Release date: | 2013-02-08 | | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one |
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 | | RX8 | | Name: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol | | Formula: | C17 H22 N4 O2 | | SMILES: | n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N | | InChi: | InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19) | | Synonyms: | R848 | | Definition date: | 2013-01-22 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-03 | | Identifier: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol |
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 | | RXR | | Name: | [2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical | | Formula: | C10 H18 N O S2 | | SMILES: | ON1C(C(=C(CS)C1(C)C)CS)(C)C | | InChi: | InChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3 | | Synonyms: | 3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical | | Definition date: | 2010-01-08 | | Last modified: | 2021-03-13 | | Identifier: | 2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol |
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 | | 364 | | Name: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | | Formula: | C19 H20 N O7 P2 | | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)C[n+]3cccc(c2cc(c1ccccc1)ccc2)c3 | | InChi: | InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)/p+1 | | Synonyms: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-BIS-PHOSPHONO-ETHYL)-PYRIDINIUM | | Definition date: | 2007-01-30 | | Last modified: | 2021-03-13 | | Identifier: | 3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium |
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 | | 365 | | Name: | [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | | Formula: | C21 H27 B N6 O10 P | | SMILES: | NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCCO)cccc16 | | InChi: | InChI=1S/C21H27BN6O10P/c23-7-13-11-3-1-4-12(33-6-2-5-29)15(11)22(36-13)37-17-14(8-34-39(30,31)32)35-21(18(17)38-22)28-10-27-16-19(24)25-9-26-20(16)28/h1,3-4,9-10,13-14,17-18,21,29H,2,5-8,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/p-2/t13-,14-,17-,18-,21-,22+/m1/s1 | | Synonyms: | 3-AMINOMETHYL-7-(3-HYDROXY-PROPOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine | | Definition date: | 2013-01-21 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-17 | | Identifier: | [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
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 | | 382 | | Name: | (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE | | Formula: | C22 H23 F2 N7 O | | SMILES: | FC(F)(C1NCCCC1)CNc3nccc2oc(nc23)Cc5ccccc5n4ncnc4 | | InChi: | InChI=1S/C22H23F2N7O/c23-22(24,18-7-3-4-9-26-18)12-28-21-20-17(8-10-27-21)32-19(30-20)11-15-5-1-2-6-16(15)31-14-25-13-29-31/h1-2,5-6,8,10,13-14,18,26H,3-4,7,9,11-12H2,(H,27,28)/t18-/m1/s1 | | Synonyms: | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | | Definition date: | 2005-04-28 | | Last modified: | 2021-03-13 | | Identifier: | N-{2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}-2-[2-(1H-1,2,4-triazol-1-yl)benzyl][1,3]oxazolo[4,5-c]pyridin-4-amine |
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