 | | ERB | | Name: | Erythromycin B | | Formula: | C37 H67 N O12 | | SMILES: | O=C3OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C | | InChi: | InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1 | | Synonyms: | 12-deoxyerythromycin | | Definition date: | 2013-01-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-01 | | Identifier: | (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name) |
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 | | ERN | | Name: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-AMINO-6-{[(2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PY
RAN-2-YL]OXY}-14-ETHYL-7,12,13-TRIHYDROXY-4-{[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY
}-3,5,7,9,11,13-HEXAMETHYLOXACYCLOTETRADECAN-2-ONE | | Formula: | C37 H70 N2 O12 | | SMILES: | O=C3OC(CC)C(O)(C)C(O)C(C)C(N)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C | | InChi: | InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | | Synonyms: | ERYTHROMYCYLAMINE | | Definition date: | 2006-12-18 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (non-preferred name) |
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 | | ESJ | | Name: | (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | | Formula: | C11 H8 N2 O3 S2 | | SMILES: | O=C(O)C1N=C(SC1)c2sc3cc(O)ccc3n2 | | InChi: | InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1 | | Synonyms: | D-LUCIFERIN | | Definition date: | 2014-05-05 | | Last modified: | 2020-06-17 | | Release date: | 2015-03-18 | | Identifier: | (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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 | | ESL | | Name: | ESTRIOL | | Formula: | C18 H24 O3 | | SMILES: | Oc1cc4c(cc1)C3CCC2(C(CC(O)C2O)C3CC4)C | | InChi: | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 | | Synonyms: | 1,3,5(10)-ESTRATRIENE-3,16,17-TRIOL | | Definition date: | 2004-08-30 | | Last modified: | 2020-06-17 | | Identifier: | (9beta,13alpha,16beta,17beta)-estra-1(10),2,4-triene-3,16,17-triol |
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 | | ESM | | Name: | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER | | Formula: | C19 H26 O3 | | SMILES: | Oc1cc4c(cc1OC)C3CCC2(C(CCC2O)C3CC4)C | | InChi: | InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 | | Synonyms: | 2-METHOXYESTRADIOL | | Definition date: | 2002-04-25 | | Last modified: | 2020-06-17 | | Identifier: | (14beta,17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol |
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 | | ESR | | Name: | 5-ALPHA-ESTRAN-3,17-DIONE | | Formula: | C18 H26 O2 | | SMILES: | O=C4CC3CCC2C1CCC(=O)C1(C)CCC2C3CC4 | | InChi: | InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1 | | Synonyms: | (13S)-13-METHYLDODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17(2H,4H)-DIONE | | Definition date: | 2003-05-29 | | Last modified: | 2020-06-17 | | Identifier: | (5beta,9beta,10alpha,13alpha,14beta)-estrane-3,17-dione |
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 | | ET9 | | Name: | [[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory
l] phosphono hydrogen phosphate | | Formula: | C12 H18 N5 O12 P3 | | SMILES: | NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C3=C)c2N1 | | InChi: | InChI=1S/C12H18N5O12P3/c1-5-6(3-27-31(23,24)29-32(25,26)28-30(20,21)22)8(18)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)19/h4,6-8,18H,1-3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t6-,7-,8-/m0/s1 | | Synonyms: | Entecavir 5'-triphosphate | | Definition date: | 2017-05-30 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-07 | | Identifier: | [[(1~{R},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | ETV | | Name: | 4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE | | Formula: | C8 H10 F N3 O3 S | | SMILES: | FC=1C(=NC(=O)N(C=1)C2OC(SC2)CO)N | | InChi: | InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1 | | Synonyms: | 5-FLUORO-(-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE | | Definition date: | 2006-10-26 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one |
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 | | EU7 | | Name: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine | | Formula: | C12 H21 N | | SMILES: | CC(N)C12CC3CC(C1)CC(C2)C3 | | InChi: | InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m0/s1 | | Synonyms: | S-RIMANTADINE | | Definition date: | 2018-01-31 | | Last modified: | 2020-06-17 | | Release date: | 2018-09-19 | | Identifier: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine |
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 | | 3WL | | Name: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | | Formula: | C15 H10 O5 | | SMILES: | O=C1c3c(O)c(O)c(O)cc3OC(=C1)c2ccccc2 | | InChi: | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H | | Synonyms: | Baicalein | | Definition date: | 2014-11-27 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-16 | | Identifier: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one |
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 | | EUG | | Name: | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol | | Formula: | C10 H12 O2 | | SMILES: | Oc1ccc(cc1OC)/C=C/C | | InChi: | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ | | Synonyms: | Isoeugenol | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol |
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 | | 3XH | | Name: | 3-Hydroxyhippuric acid | | Formula: | C9 H9 N O4 | | SMILES: | O=C(c1cc(O)ccc1)NCC(=O)O | | InChi: | InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) | | Synonyms: | N-[(3-hydroxyphenyl)carbonyl]glycine | | Definition date: | 2008-08-26 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3-hydroxyphenyl)carbonyl]glycine |
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 | | 3XU | | Name: | (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-
23-en-1-aminium 4-oxide | | Formula: | C47 H94 N2 O6 P | | SMILES: | O=P(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b21-20-,40-38-/t45-,46-/m0/s1 | | Synonyms: | N_nervonoyl_D_erythro_sphingosylphosphorylcholine | | Definition date: | 2014-12-08 | | Last modified: | 2020-06-17 | | Release date: | 2015-02-04 | | Identifier: | (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium 4-oxide |
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 | | EVN | | Name: | (2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'
R,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox
y)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-
yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,
6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) | | Formula: | C70 H97 Cl2 N O38 | | SMILES: | Cc1cc(O)cc(O)c1C(OC2COC4(C3C2OCO3)OC5C(O4)C(C(OC5)OC6C(OC)C(O)C(C(O6)COC)OC7C(O)C(C(C(O7)C)OC)OC8C(O)C9(C(C(O8)C)OC%10(O9)OC(C)C(C(C%10)O)OC%11OC(C)C(C(C%11)OC%12OC(C)C(C(C%12)(C)[N+]([O-])=O)OC)OC(c%13c(c(c(c(c%13C)Cl)O)Cl)OC)=O)C)O)=O | | InChi: | InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39-,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1 | | Synonyms: | Evernimicin | | Definition date: | 2016-06-28 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-17 | | Identifier: | (2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) |
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 | | 3XY | | Name: | 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile | | Formula: | C23 H21 F3 N6 S | | SMILES: | N#Cc2nc1ccc(cc1c2)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5 | | InChi: | InChI=1S/C23H21F3N6S/c24-23(25,26)10-18-9-19-21(28-13-29-22(19)33-18)31-16-3-5-32(6-4-16)12-14-1-2-20-15(7-14)8-17(11-27)30-20/h1-2,7-9,13,16,30H,3-6,10,12H2,(H,28,29,31) | | Synonyms: | MI-136 | | Definition date: | 2014-12-08 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-15 | | Identifier: | 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
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 | | EVP | | Name: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol
-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside | | Formula: | C29 H32 O13 | | SMILES: | O=C1OCC7C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C7OC6OC5C(OC(OC5)C)C(O)C6O | | InChi: | InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1 | | Synonyms: | Etoposide | | Definition date: | 2011-03-23 | | Last modified: | 2020-06-17 | | Identifier: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside |
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 | | 2CC | | Name: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | | Formula: | C22 H13 Cl2 N3 O4 | | SMILES: | Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4 | | InChi: | InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31) | | Synonyms: | 11,11'-Dichlorochromopyrrolic Acid | | Definition date: | 2009-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid |
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 | | EW1 | | Name: | [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl
)-1H-pyrrol-3-yl]methanone | | Formula: | C28 H37 N7 O | | SMILES: | c65ncn(C1CN(C1)C(c4cn(CC2CCN(CC2)C3CCCCC=C3)cc4)=O)c5cc(nc6N)C | | InChi: | InChI=1S/C28H37N7O/c1-20-14-25-26(27(29)31-20)30-19-35(25)24-17-34(18-24)28(36)22-10-11-32(16-22)15-21-8-12-33(13-9-21)23-6-4-2-3-5-7-23/h4,6,10-11,14,16,19,21,23-24H,2-3,5,7-9,12-13,15,17-18H2,1H3,(H2,29,31)/t23-/m0/s1 | | Synonyms: | MTF1497 | | Definition date: | 2018-02-05 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-14 | | Identifier: | [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone |
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 | | 2CU | | Name: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide | | Formula: | C19 H24 Cl N5 O3 S | | SMILES: | Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C | | InChi: | InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27) | | Synonyms: | LY2119620 positive allosteric modulator of M2/M4 receptor | | Definition date: | 2013-09-20 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-27 | | Identifier: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide |
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 | | EWV | | Name: | Epiberberine | | Formula: | C20 H18 N O4 | | SMILES: | c2c5ccc1OCOc1c5c[n+]3CCc4c(c23)cc(c(c4)OC)OC | | InChi: | InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 | | Synonyms: | 8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium | | Definition date: | 2018-02-08 | | Last modified: | 2020-06-17 | | Release date: | 2018-06-20 | | Identifier: | 8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium |
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 | | EX7 | | Name: | 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol | | Formula: | C15 H13 Cl N2 O | | SMILES: | c2c(c3nc(CCc1cc(ccc1)Cl)nc3cc2)O | | InChi: | InChI=1S/C15H13ClN2O/c16-11-4-1-3-10(9-11)7-8-14-17-12-5-2-6-13(19)15(12)18-14/h1-6,9,19H,7-8H2,(H,17,18) | | Synonyms: | 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol | | Definition date: | 2018-02-08 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-14 | | Identifier: | 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol |
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 | | 2DI | | Name: | 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE | | Formula: | C10 H12 N4 O3 | | SMILES: | O=C1c2ncn(c2N=CN1)C3OC(CC3)CO | | InChi: | InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1 | | Synonyms: | 2',3'-DIDEOXYINOSINE | | Definition date: | 2003-11-11 | | Last modified: | 2020-06-17 | | Identifier: | 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one |
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 | | EXC | | Name: | 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5'
:5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one radical | | Formula: | C21 H26 N4 O9 P | | SMILES: | O=P(O)(O)OCC5OC(N4C(=O)N=C2C(Oc1cc3c(cc1N2)C(N(O)C3(C)C)(C)C)=C4)CC5O | | InChi: | InChI=1S/C21H27N4O9P/c1-20(2)10-5-12-14(6-11(10)21(3,4)25(20)28)33-15-8-24(19(27)23-18(15)22-12)17-7-13(26)16(34-17)9-32-35(29,30)31/h5-6,8,13,16-17,26,28H,7,9H2,1-4H3,(H,22,23,27)(H2,29,30,31)/t13-,16+,17+/m0/s1 | | Synonyms: | nitroxide spin-labeled nucleotide C-spin | | Definition date: | 2010-10-19 | | Last modified: | 2020-06-17 | | Identifier: | 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5':5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one |
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 | | EXX | | Name: | 4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole | | Formula: | C12 H10 Br4 N2 O3 | | SMILES: | Brc3c1c(ncn1C2OC(C(O)C2)CO)c(Br)c(Br)c3Br | | InChi: | InChI=1S/C12H10Br4N2O3/c13-7-8(14)10(16)12-11(9(7)15)17-3-18(12)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2/t4-,5+,6+/m0/s1 | | Synonyms: | Tetrabromo-Deoxyribofuranosyl-Benzimidazole | | Definition date: | 2013-05-30 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-09 | | Identifier: | 4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole |
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 | | EY4 | | Name: | (3a,5a)-3-Hydroxypregnane-11,20-dione | | Formula: | C21 H32 O3 | | SMILES: | C32(C4C(CC1(C(CCC1C4CCC2CC(CC3)O)C(=O)C)C)=O)C | | InChi: | InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1 | | Synonyms: | alphaxalone | | Definition date: | 2018-02-12 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-22 | | Identifier: | (3beta,5alpha,8alpha,9beta,10alpha)-3-hydroxypregnane-11,20-dione |
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