 | | M27 | | Name: | bis(mu2-oxo)-octaoxo-dimolybdenum (VI) | | Formula: | Mo2 O10 | | SMILES: | [O-][Mo]1([O-])([O-])([O-])O[Mo]([O-])([O-])([O-])([O-])O1 | | InChi: | InChI=1S/2Mo.10O/q | | Synonyms: | dimolybdate [Mo(VI)2O10]8- | | Definition date: | 2013-06-04 | | Last modified: | 2020-06-17 | | Identifier: | 2,2,2,2,4,4,4,4-octakis(oxidanidyl)-1,3-dioxa-2$l^{6},4$l^{6}-dimolybdacyclobutane |
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 | | M28 | | Name: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | | Formula: | C9 H11 N O4 S | | SMILES: | O=S(=O)(c1ccc(cc1)CCC(=O)O)N | | InChi: | InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14) | | Synonyms: | P-CARBOXYETHYLBENZENESULFONAMIDE | | Definition date: | 2006-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4-sulfamoylphenyl)propanoic acid |
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 | | M30 | | Name: | N-cyclohexylglycine | | Formula: | C8 H15 N O2 | | SMILES: | O=C(O)CNC1CCCCC1 | | InChi: | InChI=1S/C8H15NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,10,11) | | Synonyms: | (2S)-1-[cyclohexylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide | | Definition date: | 2011-02-17 | | Last modified: | 2020-06-17 | | Identifier: | N-cyclohexylglycine |
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 | | M51 | | Name: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone | | Formula: | C22 H30 N6 O S | | SMILES: | O=C(N1CCSC1)C5NCC(N4CCN(c3cc(nn3c2ccccc2)C)CC4)C5 | | InChi: | InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1 | | Synonyms: | Teneligliptin | | Definition date: | 2011-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-19 | | Identifier: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone |
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 | | 1WU | | Name: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol | | Formula: | C14 H13 B F N O3 | | SMILES: | Fc3cc(ccc3Oc2ccc1c(B(O)OC1)c2)CN | | InChi: | InChI=1S/C14H13BFNO3/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11/h1-6,18H,7-8,17H2 | | Synonyms: | 6-[4-(aminomethyl)-2-fluorophenoxy]benzo[c][1,2]oxaborol-1(3H)-ol | | Definition date: | 2013-07-12 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-02 | | Identifier: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol |
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 | | 1X9 | | Name: | Cerulenin | | Formula: | C12 H17 N O3 | | SMILES: | O=C(CC/C=C/C/C=C/C)C1OC1C(=O)N | | InChi: | InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1 | | Synonyms: | (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide | | Definition date: | 2013-08-27 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide |
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 | | M8F | | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine | | Formula: | C14 H25 N3 O6 S2 | | SMILES: | O=C(NC(C(=O)O)CCSC)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H25N3O6S2/c1-25-6-5-9(14(22)23)17-12(19)10(7-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9+,10-/m0/s1 | | Synonyms: | L-D-(A-aminoadipoyl)-L-cysteinyl-D-methionine | | Definition date: | 2011-01-19 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine |
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 | | 1XH | | Name: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione | | Formula: | C21 H28 O2 | | SMILES: | O=C1C=C(C(=O)C=C1)CC3(C(CCC2(C(=C)/CCCC23)C)C)C | | InChi: | InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20-,21+/m1/s1 | | Synonyms: | Arenarone | | Definition date: | 2014-02-26 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-02 | | Identifier: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione |
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 | | M98 | | Name: | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY
L)PYRIDINE 1-OXIDE | | Formula: | C23 H18 F8 N2 O4 S | | SMILES: | FC(F)Oc2ccc(cc2OC1CC1)C(c3ncc(s3)C(O)(C(F)(F)F)C(F)(F)F)Cc4c[n+]([O-])ccc4 | | InChi: | InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)19-32-10-18(38-19)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m0/s1 | | Synonyms: | 2-{2-[(1S)-1-[3-(CYCLOPROPYLOXY)-4-(DIFLUOROMETHOXY)PHENYL]-2-(1-OXIDOPYRIDIN-3-YL)ETHYL]-1,3-THIAZOL-5-YL}-1,1,1,3,3,3
-HEXAFLUOROPROPAN-2-OL | | Definition date: | 2006-01-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-{2-[(1S)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-3-yl)ethyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
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 | | 1YK | | Name: | territrem B | | Formula: | C29 H34 O9 | | SMILES: | O=C4OC(c1cc(OC)c(OC)c(OC)c1)=CC=5OC3(C(O)(C2(C(=O)C=CC(C2(O)CC3)(C)C)C)CC4=5)C | | InChi: | InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1 | | Synonyms: | (4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,
11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione | | Definition date: | 2013-08-05 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-16 | | Identifier: | (4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione |
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 | | 1YQ | | Name: | (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | | Formula: | C21 H16 Cl N3 O4 | | SMILES: | N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)ccc3 | | InChi: | InChI=1S/C21H16ClN3O4/c22-16-6-7-18(29-17-5-1-3-15(13-17)4-2-9-23)19(14-16)28-12-11-25-10-8-20(26)24-21(25)27/h1-8,10,13-14H,11-12H2,(H,24,26,27)/b4-2+ | | Synonyms: | (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile | | Definition date: | 2013-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-25 | | Identifier: | (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
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 | | 1YR | | Name: | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | | Formula: | C21 H15 Br Cl N3 O4 | | SMILES: | N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)cc(Br)c3 | | InChi: | InChI=1S/C21H15BrClN3O4/c22-15-10-14(2-1-6-24)11-17(12-15)30-18-4-3-16(23)13-19(18)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | | Synonyms: | (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile | | Definition date: | 2013-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-25 | | Identifier: | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
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 | | MA5 | | Name: | 2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PY
RAN-3,4,5-TRIOL | | Formula: | C20 H36 O11 | | SMILES: | O(CCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C20H36O11/c21-8-11-13(23)14(24)16(26)20(29-11)31-18-12(9-22)30-19(17(27)15(18)25)28-7-6-10-4-2-1-3-5-10/h10-27H,1-9H2/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1 | | Synonyms: | CYCLOHEXYLETHYL-BETA-D-MALTOSIDE | | Definition date: | 2005-10-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-cyclohexylethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | 1Z7 | | Name: | N-(3-methylbutanoyl)-L-valyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-
valinamide | | Formula: | C30 H50 N3 O8 P | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC(C(=O)OC)Cc1ccccc1)O)C(C)C)C(C)C)CC(C)C | | InChi: | InChI=1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)29(36)33-27(21(7)8)28(35)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27H,15-17H2,1-9H3,(H,31,34)(H,32,35)(H,33,36)(H,38,39)/t23-,25+,26-,27-/m0/s1 | | Synonyms: | IVA-VAL-VAL-LP(0)FOMe | | Definition date: | 2008-08-19 | | Last modified: | 2020-06-17 | | Identifier: | N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-valinamide |
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 | | 1ZK | | Name: | 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba
moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium | | Formula: | C45 H62 N7 O7 | | SMILES: | O=C(NCc1ncccc1)C(NC(=O)C(C(C)C)C(O)C(O)C(NC(=O)C(NC(=O)COc3c2ccccc2ccc3)Cc4cnc[nH+]4)CC5CCCCC5)C(C)CC | | InChi: | InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/p+1/t29-,35-,36-,39+,40-,41+,42+/m0/s1 | | Synonyms: | U75875 | | Definition date: | 2008-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(2S)-3-{[(1S,2R,3R,4R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium |
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 | | MAR | | Name: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | | Formula: | C33 H39 N O13 | | SMILES: | O=C2c1c(O)c6c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC6OC5OC(C(OC4OC(C(O)C(O)C4)C)C(N)C5)C | | InChi: | InChI=1S/C33H39NO13/c1-12-27(37)18(36)9-22(44-12)47-32-13(2)45-21(8-17(32)34)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27-,32+,33-/m0/s1 | | Synonyms: | MAR70 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-arabino-hexopyranosyl)-alpha-L-lyxo-hexopyranoside |
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 | | 20A | | Name: | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | | Formula: | C21 H25 N5 O2 | | SMILES: | O=C(NCc1ccccc1)c2c(c3c(nc2)n(nc3)CC)NC4CCOCC4 | | InChi: | InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27) | | Synonyms: | N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | | Definition date: | 2008-05-17 | | Last modified: | 2020-06-17 | | Identifier: | N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
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 | | 20B | | Name: | 2-(3-hydroxyphenyl)-4H-chromen-4-one | | Formula: | C15 H10 O3 | | SMILES: | O=C1c3c(OC(=C1)c2cccc(O)c2)cccc3 | | InChi: | InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H | | Synonyms: | 3'-hydroxyflavone | | Definition date: | 2012-10-19 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 2-(3-hydroxyphenyl)-4H-chromen-4-one |
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 | | 20C | | Name: | 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid | | Formula: | C16 H11 N O5 | | SMILES: | O=C(O)c1ccc(cc1O)N3C(=O)c2cccc(c2C3=O)C | | InChi: | InChI=1S/C16H11NO5/c1-8-3-2-4-11-13(8)15(20)17(14(11)19)9-5-6-10(16(21)22)12(18)7-9/h2-7,18H,1H3,(H,21,22) | | Synonyms: | 2-hydroxy-4-(4-methyl-1,3-dioxo-2,3-dihydro-1H- isoindol-2-yl)benzoic acid | | Definition date: | 2009-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid |
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 | | MAU | | Name: | N-METHYL KIRROMYCIN | | Formula: | C44 H62 N2 O12 | | SMILES: | O=C1N(C=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C)C | | InChi: | InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1 | | Synonyms: | AURODOX | | Definition date: | 2001-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) |
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 | | MAX | | Name: | MATAIRESINOL | | Formula: | C20 H22 O6 | | SMILES: | O=C2OCC(Cc1cc(OC)c(O)cc1)C2Cc3ccc(O)c(OC)c3 | | InChi: | InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 | | Synonyms: | ARTIGENIN CONGENER | | Definition date: | 2004-12-23 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R)-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one |
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 | | 20V | | Name: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic
acid | | Formula: | C18 H15 N4 O14 P S2 | | SMILES: | O=S(=O)(O)c3c2cc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc(c2cc([N+]([O-])=O)c3)S(=O)(=O)O | | InChi: | InChI=1S/C18H15N4O14PS2/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35)/b21-20+ | | Synonyms: | PPNDS | | Definition date: | 2013-08-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-02-12 | | Identifier: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid |
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 | | 210 | | Name: | PAMIDRONATE | | Formula: | C3 H11 N O7 P2 | | SMILES: | O=P(O)(O)C(O)(CCN)P(=O)(O)O | | InChi: | InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11) | | Synonyms: | (3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID | | Definition date: | 2006-01-11 | | Last modified: | 2020-06-17 | | Identifier: | (3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid) |
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 | | MBT | | Name: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM | | Formula: | C16 H18 N3 S | | SMILES: | [s+]1c3c(nc2c1cc(cc2)N(C)C)ccc(N(C)C)c3 | | InChi: | InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1 | | Synonyms: | METHYLENE BLUE | | Definition date: | 2007-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 3,7-bis(dimethylamino)phenothiazin-5-ium |
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 | | MC9 | | Name: | CALCIPOTRIOL | | Formula: | C27 H40 O3 | | SMILES: | OC4C(=C)/C(=CC=C2/CCCC3(C)C(C(/C=C/C(O)C1CC1)C)CCC23)CC(O)C4 | | InChi: | InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1 | | Synonyms: | (1S,5Z,7Z,17ALPHA,22E)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10,22-TETRAENE-1,3,24-TRIOL | | Definition date: | 2004-01-14 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,5Z,7E,14beta,17alpha,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol |
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