 | | OQR | | Name: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Formula: | C14 H21 N3 O3 | | SMILES: | C2Cc1cc(CO)c(cc1NC2CNC(C)C)[N+]([O-])=O | | InChi: | InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m1/s1 | | Synonyms: | oxamniquine | | Definition date: | 2015-06-11 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol |
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 | | ORE | | Name: | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID | | Formula: | C21 H10 F2 O7 | | SMILES: | O=C(O)c4ccc(C=1c3c(OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(=O)O)c4 | | InChi: | InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29) | | Synonyms: | OREGON GREEN 488 CARBOXYLATE | | Definition date: | 2005-07-21 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid |
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 | | OSB | | Name: | 2-SUCCINYLBENZOATE | | Formula: | C11 H10 O5 | | SMILES: | O=C(O)c1ccccc1C(=O)CCC(=O)O | | InChi: | InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) | | Synonyms: | O-SUCCINYLBENZOATE | | Definition date: | 2000-08-11 | | Last modified: | 2020-06-17 | | Identifier: | 2-(3-carboxypropanoyl)benzoic acid |
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 | | OSP | | Name: | SULTHIAME | | Formula: | C10 H14 N2 O4 S2 | | SMILES: | O=S2(=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2 | | InChi: | InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) | | Synonyms: | 4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE | | Definition date: | 2007-06-21 | | Last modified: | 2020-06-17 | | Identifier: | 4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide |
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 | | 3LR | | Name: | 3,6-dideoxy-L-arabino-hexonic acid | | Formula: | C6 H12 O5 | | SMILES: | O=C(O)C(O)CC(O)C(O)C | | InChi: | InChI=1S/C6H12O5/c1-3(7)4(8)2-5(9)6(10)11/h3-5,7-9H,2H2,1H3,(H,10,11)/t3-,4+,5+/m0/s1 | | Synonyms: | 3-deoxy-L-rhamnonic acid | | Definition date: | 2008-05-01 | | Last modified: | 2020-06-17 | | Identifier: | 3,6-dideoxy-L-arabino-hexonic acid |
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 | | OT5 | | Name: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone | | Formula: | C25 H28 Cl2 N4 O2 | | SMILES: | Clc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN(C)C)CC3)cc(Cl)c4O | | InChi: | InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17- | | Synonyms: | OTSSP167 | | Definition date: | 2014-02-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-08 | | Identifier: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone |
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 | | 3M0 | | Name: | 2-azanyl-3-methyl-benzoic acid | | Formula: | C8 H9 N O2 | | SMILES: | O=C(O)c1cccc(c1N)C | | InChi: | InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) | | Synonyms: | 3-methylanthranilate | | Definition date: | 2014-02-06 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-23 | | Identifier: | 2-amino-3-methylbenzoic acid |
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 | | OTD | | Name: | 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID | | Formula: | C6 H6 N2 O5 | | SMILES: | O=C(O)C1C=C(C(=O)O)NC(=O)N1 | | InChi: | InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1 | | Synonyms: | HDDP | | Definition date: | 2007-03-01 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-2-oxo-1,2,3,4-tetrahydropyrimidine-4,6-dicarboxylic acid |
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 | | 3MI | | Name: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid | | Formula: | C14 H7 Cl2 N O3 | | SMILES: | O=C(O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3 | | InChi: | InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19) | | Synonyms: | Tafamidis | | Definition date: | 2010-04-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid |
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 | | 3MO | | Name: | 3-METHYL-1,3-OXAZOLIDIN-2-ONE | | Formula: | C4 H7 N O2 | | SMILES: | O=C1OCCN1C | | InChi: | InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3 | | Synonyms: | 3-METHYL-2-OXAZOLIDINONE | | Definition date: | 2006-07-21 | | Last modified: | 2020-06-17 | | Identifier: | 3-methyl-1,3-oxazolidin-2-one |
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 | | 3MS | | Name: | N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7
-yl}methanesulfonamide | | Formula: | C20 H23 N5 O6 S2 | | SMILES: | O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C4=C(O)c3cccn3N(C4=O)CCC(C)C)C | | InChi: | InChI=1S/C20H23N5O6S2/c1-12(2)8-10-25-20(27)17(18(26)15-5-4-9-24(15)25)19-21-14-7-6-13(22-32(3,28)29)11-16(14)33(30,31)23-19/h4-7,9,11-12,22,26H,8,10H2,1-3H3,(H,21,23) | | Synonyms: | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo
[1,2,4]thiadiazin-7-yl}-methanesulfonamide | | Definition date: | 2008-04-01 | | Last modified: | 2020-06-17 | | Identifier: | N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide |
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 | | 3N6 | | Name: | N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3
(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide | | Formula: | C38 H47 Br2 N9 O5 | | SMILES: | O=C(N2CCN(c1ccncc1)CC2)C(NC(=O)C(NC(=O)N5CCC(N4C(=O)Nc3c(cccc3)C4)CC5)Cc6cc(Br)c(O)c(Br)c6)CCCCN | | InChi: | InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | | Synonyms: | Olcegepant | | Definition date: | 2010-06-07 | | Last modified: | 2020-06-17 | | Identifier: | N-{(2S)-6-amino-1-oxo-1-[4-(pyridin-4-yl)piperazin-1-yl]hexan-2-yl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide |
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 | | 3NU | | Name: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine | | Formula: | C16 H24 N6 | | SMILES: | n2c(c1cnnc1C(C)C)ccnc2NC3CCN(C)CC3 | | InChi: | InChI=1S/C16H24N6/c1-11(2)15-13(10-18-21-15)14-4-7-17-16(20-14)19-12-5-8-22(3)9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20) | | Synonyms: | 4-(3-isopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine | | Definition date: | 2010-07-09 | | Last modified: | 2020-06-17 | | Identifier: | N-(1-methylpiperidin-4-yl)-4-[3-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine |
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 | | 3NV | | Name: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine | | Formula: | C19 H23 Cl N8 | | SMILES: | Clc4c(c1nc(ncc1)Nc3ncc(N2CCNCC2)cc3)c(nn4)C(C)C | | InChi: | InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25) | | Synonyms: | 4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | | Definition date: | 2010-07-09 | | Last modified: | 2020-06-17 | | Identifier: | 4-[5-chloro-3-(propan-2-yl)-1H-pyrazol-4-yl]-N-[5-(piperazin-1-yl)pyridin-2-yl]pyrimidin-2-amine |
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 | | 3OG | | Name: | (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate | | Formula: | C18 H32 O4 | | SMILES: | O=C1OC(C(OC(=O)C)CCCCCCCCCC)CCC1 | | InChi: | InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3/t16-,17+/m0/s1 | | Synonyms: | (5R,6S)-6-acetoy-5-hexadecanolide | | Definition date: | 2010-08-24 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate |
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 | | 3P8 | | Name: | methylammonium ion | | Formula: | C H6 N | | SMILES: | [NH3+]C | | InChi: | InChI=1S/CH5N/c1-2/h2H2,1H3/p+1 | | Synonyms: | methanaminium | | Definition date: | 2014-10-02 | | Last modified: | 2020-06-17 | | Release date: | 2015-07-01 | | Identifier: | methanaminium |
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 | | 3P9 | | Name: | (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol | | Formula: | C9 H20 O4 | | SMILES: | O(C(CO)C)CC(OCC(O)C)C | | InChi: | InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1 | | Synonyms: | Polypropyleneglycol | | Definition date: | 2014-10-01 | | Last modified: | 2020-06-17 | | Release date: | 2015-07-07 | | Identifier: | (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol |
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 | | 3PD | | Name: | 2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)CO | | InChi: | InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | | Synonyms: | 2'-DEOXYGUANOSINE-3'-MONOPHOSPHATE | | Definition date: | 2006-04-14 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-3'-guanylic acid |
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 | | 3PH | | Name: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE | | Formula: | C39 H77 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O | | InChi: | InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1 | | Synonyms: | PHOSPHATIDIC ACID | | Definition date: | 2003-07-09 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate |
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 | | 3PP | | Name: | 3-PHOSPHONOPROPANOIC ACID | | Formula: | C3 H7 O5 P | | SMILES: | O=C(O)CCP(=O)(O)O | | InChi: | InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8) | | Synonyms: | 2-CARBOXYETHYLPHOSPHONIC ACID | | Definition date: | 2000-12-14 | | Last modified: | 2020-06-17 | | Identifier: | 3-phosphonopropanoic acid |
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 | | 3QB | | Name: | LINCOMYCIN | | Formula: | C18 H34 N2 O6 S | | SMILES: | O=C(NC(C1OC(SC)C(O)C(O)C1O)C(O)C)C2N(C)CC(CCC)C2 | | InChi: | InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 | | Synonyms: | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside | | Definition date: | 2014-10-07 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-05 | | Identifier: | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside |
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 | | 3S5 | | Name: | Taurocyamine | | Formula: | C3 H9 N3 O3 S | | SMILES: | O=S(=O)(O)CCNC(=[N@H])N | | InChi: | InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9) | | Synonyms: | 2-carbamimidamidoethanesulfonic acid | | Definition date: | 2014-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-15 | | Identifier: | 2-carbamimidamidoethanesulfonic acid |
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 | | 3SL | | Name: | (2R)-3-SULFOLACTIC ACID | | Formula: | C3 H6 O6 S | | SMILES: | O=C(O)C(O)CS(=O)(=O)O | | InChi: | InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | | Synonyms: | (R)-2-HYDROXY-3-SULFOPROPANOIC ACID | | Definition date: | 2005-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-hydroxy-3-sulfopropanoic acid |
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 | | 3TA | | Name: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi
one | | Formula: | C23 H25 Cl N6 S | | SMILES: | Clc4cc2c(c1nc(ncc1CC(=S)N2)Nc3cc(cnc3C)CCCN(C)C)cc4 | | InChi: | InChI=1S/C23H25ClN6S/c1-14-19(9-15(12-25-14)5-4-8-30(2)3)28-23-26-13-16-10-21(31)27-20-11-17(24)6-7-18(20)22(16)29-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,27,31)(H,26,28,29) | | Synonyms: | MLN0905 | | Definition date: | 2011-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione |
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 | | 3TC | | Name: | 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE | | Formula: | C8 H11 N3 O3 S | | SMILES: | O=C1N=C(N)C=CN1C2OC(SC2)CO | | InChi: | InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1 | | Synonyms: | (-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE | | Definition date: | 2006-10-26 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one |
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