 | | MUL | | Name: | TIAMULIN | | Formula: | C28 H47 N O4 S | | SMILES: | O=C2CCC13C(C(O)C(C=C)(C)CC(OC(=O)CSCCN(CC)CC)C(C(CC1)C)(C)C23)C | | InChi: | InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1 | | Synonyms: | (4R,5S,6S,8R,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROPANOCYCLOPENTA[8]ANNULEN-8-YL
{[2-(DIETHYLAMINO)ETHYL]SULFANYL}ACETATE | | Definition date: | 2004-09-07 | | Last modified: | 2020-06-17 | | Identifier: | (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate |
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 | | MV2 | | Name: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide | | Formula: | C9 H19 N O4 | | SMILES: | O=C(NCCCO)C(O)C(C)(C)CO | | InChi: | InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m1/s1 | | Synonyms: | L-Pantothenol | | Definition date: | 2011-03-15 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
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 | | MVD | | Name: | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3 | | Formula: | C28 H46 O3 | | SMILES: | OC3C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C)=C | | InChi: | InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1 | | Synonyms: | 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-METHYL-,(1A,2A,3B,5Z,7E) | | Definition date: | 2006-06-20 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2S,3R,5Z,7E,14beta,17alpha)-2-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
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 | | MVL | | Name: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C8 H12 N2 O4 | | SMILES: | n1ccn2c1C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1 | | Synonyms: | Mannoimidazole | | Definition date: | 2008-01-25 | | Last modified: | 2020-06-17 | | Identifier: | (5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
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 | | MWP | | Name: | 1-benzothiophen-6-amine 1,1-dioxide | | Formula: | C8 H7 N O2 S | | SMILES: | O=S2(=O)c1cc(ccc1C=C2)N | | InChi: | InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2 | | Synonyms: | 6-amino-benzothiophene-1,1-dione | | Definition date: | 2012-03-28 | | Last modified: | 2020-06-17 | | Release date: | 2013-01-25 | | Identifier: | 1-benzothiophen-6-amine 1,1-dioxide |
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 | | MXD | | Name: | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE | | Formula: | C9 H15 N5 O | | SMILES: | [O-][n+]1c(nc(cc1N)N2CCCCC2)N | | InChi: | InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12) | | Synonyms: | MINOXIDIL | | Definition date: | 2005-11-11 | | Last modified: | 2020-06-17 | | Identifier: | 6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide |
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 | | MXM | | Name: | 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide | | Formula: | C14 H13 N3 O4 S2 | | SMILES: | O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C | | InChi: | InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | | Synonyms: | Meloxicam | | Definition date: | 2013-08-09 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-22 | | Identifier: | 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide |
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 | | MXN | | Name: | (2R)-hydroxy(phenyl)ethanenitrile | | Formula: | C8 H7 N O | | SMILES: | N#CC(O)c1ccccc1 | | InChi: | InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1 | | Synonyms: | (R)-mandelonitrile | | Definition date: | 2009-02-26 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-hydroxy(phenyl)ethanenitrile |
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 | | MXP | | Name: | Myxopyronin B | | Formula: | C23 H31 N O6 | | SMILES: | O=C(C1=C(O)C=C(OC1=O)CCCC=CNC(=O)OC)C(=CC=C(/C)CCCC)C | | InChi: | InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h9,12-15,25H,5-8,10-11H2,1-4H3,(H,24,28)/b14-9+,16-12+,17-13+ | | Synonyms: | methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate | | Definition date: | 2008-10-16 | | Last modified: | 2020-06-17 | | Identifier: | methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate |
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 | | MYC | | Name: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE | | Formula: | C15 H10 O8 | | SMILES: | O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O | | InChi: | InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | | Synonyms: | 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE | | Definition date: | 2000-10-04 | | Last modified: | 2020-06-17 | | Identifier: | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one |
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 | | MYD | | Name: | {[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID
MONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER | | Formula: | C23 H29 N5 O13 P2 | | SMILES: | O=C5OCc1c5c(O)c(c(OC)c1C)CCOP(=O)(O)CP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1 | | Synonyms: | C2-MYCOPHENOLIC ADENINE DINUCLEOTIDE | | Definition date: | 2002-12-20 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(R)-hydroxy({(S)-hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine |
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 | | MYF | | Name: | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE | | Formula: | C15 H10 O7 | | SMILES: | O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O | | InChi: | InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H | | Synonyms: | 2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE | | Definition date: | 2006-12-22 | | Last modified: | 2020-06-17 | | Identifier: | 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one |
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 | | MYI | | Name: | (5-methoxy-1H-indol-3-yl)acetic acid | | Formula: | C11 H11 N O3 | | SMILES: | COc1ccc2[nH]cc(CC(O)=O)c2c1 | | InChi: | InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) | | Synonyms: | 5-methoxy-indole acetate | | Definition date: | 2010-02-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-(5-methoxy-1H-indol-3-yl)ethanoic acid |
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 | | MYU | | Name: | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE | | Formula: | C15 H10 O8 | | SMILES: | O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2 | | InChi: | InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H | | Synonyms: | 2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE | | Definition date: | 2007-07-10 | | Last modified: | 2020-06-17 | | Identifier: | 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one |
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 | | MYX | | Name: | (2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID
E | | Formula: | C25 H33 N3 O3 S2 | | SMILES: | O=C(N)C=C(OC)C(C)C(OC)/C=C/c1nc(sc1)c2nc(sc2)C(C=CC=CC(C)C)C | | InChi: | InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1 | | Synonyms: | 7-[2'-(1,6-DIMETHYL-HEPTA-2,4-DIENYL)-[2,4']BITHIAZOLYL-4-YL]-3,5-DIMETHOXY-4-METHYL-HEPTA-2,6-DIENOIC ACID AMIDE | | Definition date: | 2004-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2E,4R,5S,6E)-7-{2'-[(1S,2E,4E)-1,6-dimethylhepta-2,4-dien-1-yl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamide |
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 | | MZ0 | | Name: | 1H-imidazol-5-ylmethanol | | Formula: | C4 H6 N2 O | | SMILES: | OCc1cncn1 | | InChi: | InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6) | | Synonyms: | 4(5)-(hydroxymethyl)imidazole | | Definition date: | 2012-10-26 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-23 | | Identifier: | 1H-imidazol-5-ylmethanol |
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 | | MZJ | | Name: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one | | Formula: | C25 H27 N5 O2 | | SMILES: | n1c(c(c(nc1)N)c2ccc(cc2)Oc3ccccc3)NCC4CCN(C(=O)[C@H]=C)CC4 | | InChi: | InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29) | | Synonyms: | Evobrutinib | | Definition date: | 2019-04-24 | | Last modified: | 2020-06-17 | | Release date: | 2019-08-14 | | Identifier: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one |
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 | | MZR | | Name: | 5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide | | Formula: | C9 H13 N3 O6 | | SMILES: | O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | Mizoribine | | Definition date: | 2011-07-12 | | Last modified: | 2020-06-17 | | Identifier: | 5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide |
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 | | MZY | | Name: | 1,3-dihydroimidazole-2-thione | | Formula: | C3 H4 N2 S | | SMILES: | S=C1NC=CN1 | | InChi: | InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6) | | Synonyms: | 2-Mercaptoimidazole | | Definition date: | 2016-05-12 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-01 | | Identifier: | 1,3-dihydroimidazole-2-thione |
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 | | N11 | | Name: | 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol | | Formula: | C12 H15 N3 O4 S | | SMILES: | [O-][N+](=O)c1ccc(SCCCCCCO)c2nonc12 | | InChi: | InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2 | | Synonyms: | 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol | | Definition date: | 2009-04-08 | | Last modified: | 2020-06-17 | | Identifier: | 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol |
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 | | N1S | | Name: | (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol | | Formula: | C15 H26 O | | SMILES: | CC(=CCCC(=CCCC(=C/CO)C)C)C | | InChi: | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11- | | Synonyms: | cis,trans-Farnesol | | Definition date: | 2019-04-29 | | Last modified: | 2020-06-17 | | Release date: | 2019-05-08 | | Identifier: | (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
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 | | N34 | | Name: | N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro
-1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide | | Formula: | C21 H29 N5 O6 S2 | | SMILES: | O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C4N(N(C3=O)CCC(C)(C)C)CCC4)C | | InChi: | InChI=1S/C21H29N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h7-8,12,15,23,27H,5-6,9-11H2,1-4H3,(H,22,24)/t15-/m0/s1 | | Synonyms: | N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,
2,4-benzothiadiazin-7-yl}methanesulfonamide | | Definition date: | 2008-05-01 | | Last modified: | 2020-06-17 | | Identifier: | N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide |
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 | | N3A | | Name: | 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap
hthalen-8-yl]propanoyl}amino)benzoic acid | | Formula: | C24 H27 N O7 | | SMILES: | O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC32C/C(=C)C(CC2O)CC34)C | | InChi: | InChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18-,23+,24+/m1/s1 | | Synonyms: | Platencin A1 | | Definition date: | 2009-06-03 | | Last modified: | 2020-06-17 | | Identifier: | 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid |
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 | | N4P | | Name: | N,N-bis(3-aminopropyl)butane-1,4-diamine | | Formula: | C10 H26 N4 | | SMILES: | NCCCCN(CCCN)CCCN | | InChi: | InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2 | | Synonyms: | N4-aminopropylspermidine | | Definition date: | 2016-02-26 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-15 | | Identifier: | ~{N}',~{N}'-bis(3-azanylpropyl)butane-1,4-diamine |
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 | | N5A | | Name: | 5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE | | Formula: | C12 H17 N7 O4 | | SMILES: | O=C(NCCN)C3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | | Synonyms: | (2S,3S,4R,5R)-N-(2-AMINOETHYL)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE | | Definition date: | 2006-06-26 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3S,4R,5R)-N-(2-aminoethyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) |
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