 | | AL6 | | Name: | 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE | | Formula: | C13 H12 N2 O5 S3 | | SMILES: | O=S(=O)(c1sc3c(c1)C=CN(c2cccc(OC)c2)S3(=O)=O)N | | InChi: | InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17) | | Synonyms: | AL6528 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-(3-methoxyphenyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
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 | | ZEZ | | Name: | (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol | | Formula: | C10 H13 N5 O | | SMILES: | n2c1c(ncn1)c(nc2)NC/C=C(/C)CO | | InChi: | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2- | | Synonyms: | CIS-ZEATIN | | Definition date: | 2008-03-03 | | Last modified: | 2021-03-01 | | Identifier: | (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol |
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 | | P5D | | Name: | (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid | | Formula: | C13 H18 N O6 P | | SMILES: | O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C13H18NO6P/c14-11(6-9-4-2-1-3-5-9)21(19,20)8-10(13(17)18)7-12(15)16/h1-5,10-11H,6-8,14H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1 | | Synonyms: | L-PHE-D-ASP PHOSPHINATE PSEUDODIPEPTIDE | | Definition date: | 2011-05-18 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid |
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 | | OBE | | Name: | 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | | Formula: | C16 H19 N O5 | | SMILES: | [O-]C(=O)C3C1[NH+](C)C(CC1)CC3OC(=O)c2cccc(O)c2 | | InChi: | InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1 | | Synonyms: | META-OXYBENZOYLECGONINE | | Definition date: | 2003-11-20 | | Last modified: | 2021-03-01 | | Identifier: | (1R,2R,3S,5S,8S)-3-{[(3-hydroxyphenyl)carbonyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate |
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 | | OBG | | Name: | 6-(benzyloxy)-9H-purin-2-amine | | Formula: | C12 H11 N5 O | | SMILES: | Nc1nc2[nH]cnc2c(OCc3ccccc3)n1 | | InChi: | InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17) | | Synonyms: | o6-benzylguanine | | Definition date: | 2010-01-06 | | Last modified: | 2021-03-01 | | Identifier: | 6-phenylmethoxy-9H-purin-2-amine |
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 | | XOC | | Name: | N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide | | Formula: | C19 H21 N3 O S | | SMILES: | O=C(CN1CCCCC1)NN2c3ccccc3Sc4ccccc24 | | InChi: | InChI=1S/C19H21N3OS/c23-19(14-21-12-6-1-7-13-21)20-22-15-8-2-4-10-17(15)24-18-11-5-3-9-16(18)22/h2-5,8-11H,1,6-7,12-14H2,(H,20,23) | | Synonyms: | FD44 | | Definition date: | 2015-07-27 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-25 | | Identifier: | N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide |
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 | | U04 | | Name: | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | | Formula: | C25 H28 N2 O6 | | SMILES: | O=C(OC(C)(C)C)NCC(=O)Nc1cccc(c1)C(C2=C(O)c3c(OC2=O)cccc3)CC | | InChi: | InChI=1S/C25H28N2O6/c1-5-17(21-22(29)18-11-6-7-12-19(18)32-23(21)30)15-9-8-10-16(13-15)27-20(28)14-26-24(31)33-25(2,3)4/h6-13,17,29H,5,14H2,1-4H3,(H,26,31)(H,27,28)/t17-/m0/s1 | | Synonyms: | U097410 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | tert-butyl [2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamate |
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 | | SS1 | | Name: | 1-PHENYLETHANOL | | Formula: | C8 H10 O | | SMILES: | OC(c1ccccc1)C | | InChi: | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1 | | Synonyms: | (1S)-1-PHENYL-ETHANOL | | Definition date: | 2003-09-30 | | Last modified: | 2021-03-01 | | Identifier: | (1S)-1-phenylethanol |
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 | | U05 | | Name: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE | | Formula: | C15 H14 N4 O3 | | SMILES: | [O-][N+](=O)c2ccc3N(C(=O)c1cccnc1N(c3c2)CC)C | | InChi: | InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3 | | Synonyms: | 1051U91 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 11-ethyl-6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one |
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 | | MOG | | Name: | 5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE | | Formula: | C6 H6 N4 O2 | | SMILES: | O=C2NC(=Nc1oc(nc12)C)N | | InChi: | InChI=1S/C6H6N4O2/c1-2-8-3-4(11)9-6(7)10-5(3)12-2/h1H3,(H3,7,9,10,11) | | Synonyms: | 8-METHYL-9-OXOGUANINE | | Definition date: | 2001-05-09 | | Last modified: | 2021-03-01 | | Identifier: | 5-amino-2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7(6H)-one |
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 | | ALE | | Name: | L-EPINEPHRINE | | Formula: | C9 H13 N O3 | | SMILES: | Oc1ccc(cc1O)C(O)CNC | | InChi: | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 | | Synonyms: | ADRENALINE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol |
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 | | XOG | | Name: | (2E,6E)-2,6-dimethylocta-2,6-dienedial | | Formula: | C10 H14 O2 | | SMILES: | O=C[C@H]=C(C)CC[C@H]=C(C)C=O | | InChi: | InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+ | | Synonyms: | 8-oxogeranial | | Definition date: | 2015-07-27 | | Last modified: | 2021-03-01 | | Release date: | 2015-11-04 | | Identifier: | (2E,6E)-2,6-dimethylocta-2,6-dienedial |
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 | | RKE | | Name: | (R)-ketamine | | Formula: | C13 H16 Cl N O | | SMILES: | Clc1c(cccc1)C2(NC)C(=O)CCCC2 | | InChi: | InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1 | | Synonyms: | (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone | | Definition date: | 2011-05-02 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone |
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 | | OBP | | Name: | 2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID | | Formula: | C12 H10 O3 S | | SMILES: | O=S(O)c2c(c1ccccc1O)cccc2 | | InChi: | InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15) | | Synonyms: | 2'-HYDROXYBIPHENYL-2-SULFINIC ACID | | Definition date: | 2004-10-15 | | Last modified: | 2021-03-01 | | Identifier: | 2'-hydroxybiphenyl-2-sulfinic acid |
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 | | MOO | | Name: | MOLYBDATE ION | | Formula: | Mo O4 | | SMILES: | [O-][Mo]([O-])(=O)=O | | InChi: | InChI=1S/Mo.4O/q | | Synonyms: | MOLYBDATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | dioxido(dioxo)molybdenum |
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 | | P5S | | Name: | O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | | Formula: | C42 H82 N O10 P | | SMILES: | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1 | | Synonyms: | phosphatidyl serine | | Definition date: | 2012-07-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-26 | | Identifier: | O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine |
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 | | PZA | | Name: | PYRAZINE-2-CARBOXAMIDE | | Formula: | C5 H5 N3 O | | SMILES: | O=C(N)c1nccnc1 | | InChi: | InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) | | Synonyms: | Pyrazinamide | | Definition date: | 2004-09-06 | | Last modified: | 2021-03-01 | | Identifier: | pyrazine-2-carboxamide |
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 | | T7M | | Name: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | | Formula: | C46 H82 O16 P2 | | SMILES: | O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h11,13,17,19,21,23,27,29,38,41-46,49-52H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42+,43-,44-,45+,46+/m1/s1 | | Synonyms: | Phosphatidylinositol-4-phosphate | | Definition date: | 2011-07-22 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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 | | XAM | | Name: | (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside | | Formula: | C44 H60 Cl2 N4 O14 | | SMILES: | O=C(OC1C(OC)C(OC(C)C1OC(=O)N)N2C(=O)C(=C(O)C2C(C)C)C(=O)C6C(C=CC5C(OC3OC(C(O)C(O)(C3)C(NC(=O)c4c(Cl)c(Cl)c(n4)C)C)C)CC/C(=C)C56)C)C | | InChi: | InChI=1S/C44H60Cl2N4O14/c1-16(2)33-35(53)29(41(56)50(33)42-38(59-10)37(62-23(9)51)36(20(6)61-42)64-43(47)57)34(52)28-18(4)11-13-24-25(14-12-17(3)27(24)28)63-26-15-44(58,39(54)21(7)60-26)22(8)49-40(55)32-31(46)30(45)19(5)48-32/h11,13,16,18,20-22,24-28,33,36-39,42,48,53-54,58H,3,12,14-15H2,1-2,4-10H3,(H2,47,57)(H,49,55)/t18-,20-,21+,22-,24-,25+,26-,27-,28-,33-,36+,37+,38+,39+,42+,44+/m0/s1 | | Synonyms: | Amycolamicin | | Definition date: | 2012-04-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-16 | | Identifier: | (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside |
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 | | SSO | | Name: | 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT | | Formula: | C9 H18 O9 S2 | | SMILES: | [O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1 | | InChi: | InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7+,8-,9+,19-/m1/s1 | | Synonyms: | SALACINOL | | Definition date: | 2004-06-22 | | Last modified: | 2021-03-01 | | Identifier: | ({[(1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name) |
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 | | 325 | | Name: | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | | Formula: | C21 H16 F2 N4 O3 S | | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4cccnc4)CC | | InChi: | InChI=1S/C21H16F2N4O3S/c1-2-31(29,30)27-17-6-5-16(22)18(19(17)23)20(28)15-11-26-21-14(15)8-13(10-25-21)12-4-3-7-24-9-12/h3-11,27H,2H2,1H3,(H,25,26) | | Synonyms: | PLX3203 | | Definition date: | 2008-02-07 | | Last modified: | 2021-03-01 | | Identifier: | N-(2,4-difluoro-3-{[5-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}phenyl)ethanesulfonamide |
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 | | AM1 | | Name: | (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID | | Formula: | C8 H10 N2 O5 | | SMILES: | O=C(O)c1noc(c1CC(C(=O)O)N)C | | InChi: | InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14) | | Synonyms: | ACPA | | Definition date: | 2002-07-11 | | Last modified: | 2021-03-01 | | Identifier: | 4-(2-amino-2-carboxyethyl)-5-methylisoxazole-3-carboxylic acid |
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 | | PZM | | Name: | 1-(4-METHOXYPHENYL)METHANAMINE | | Formula: | C8 H11 N O | | SMILES: | O(c1ccc(cc1)CN)C | | InChi: | InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3 | | Synonyms: | P-METHOXYBENZYLAMINE | | Definition date: | 2006-07-24 | | Last modified: | 2021-03-01 | | Identifier: | 1-(4-methoxyphenyl)methanamine |
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 | | SSS | | Name: | N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID | | Formula: | C13 H19 N4 O12 P | | SMILES: | O=C(O)CC(C(=O)O)NC(=O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9-,12+/m0/s1 | | Synonyms: | N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID | | Definition date: | 2006-05-24 | | Last modified: | 2021-03-01 | | Identifier: | N-{[5-amino-1-(5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-aspartic acid |
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 | | PZP | | Name: | [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate | | Formula: | C8 H11 N2 O5 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1C=[N@H])C | | InChi: | InChI=1S/C8H11N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h2-3,9,11H,4H2,1H3,(H2,12,13,14)/b9-2+ | | Synonyms: | pyridoximine-5'-phosphate | | Definition date: | 2010-04-23 | | Last modified: | 2021-03-01 | | Identifier: | {5-hydroxy-4-[(E)-iminomethyl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate |
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