 | | JG3 | | Name: | 1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline | | Formula: | C15 H22 N2 O3 | | SMILES: | O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C15H22N2O3/c16-12(9-11-5-2-1-3-6-11)14(18)10-17-8-4-7-13(17)15(19)20/h1-3,5-6,12-14,18H,4,7-10,16H2,(H,19,20)/t12-,13-,14-/m0/s1 | | Definition date: | 2010-09-13 | | Last modified: | 2023-11-03 | | Identifier: | 1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline |
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 | | JKH | | Name: | 4-amino-Proline | | Formula: | C5 H11 N2 O2 | | SMILES: | [NH3+][CH]1CN[CH](C1)C(O)=O | | InChi: | InChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/p+1/t3-,4-/m0/s1 | | Definition date: | 2019-03-07 | | Last modified: | 2023-11-03 | | Release date: | 2019-05-29 | | Identifier: | [(3~{S},5~{S})-5-carboxypyrrolidin-3-yl]azanium |
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 | | JLP | | Name: | (2S)-2-azanyl-6-[E-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid | | Formula: | C14 H21 N3 O4 | | SMILES: | Cc1ncc(CO)c(C=NCCCC[CH](N)C(O)=O)c1O | | InChi: | InChI=1S/C14H21N3O4/c1-9-13(19)11(10(8-18)6-17-9)7-16-5-3-2-4-12(15)14(20)21/h6-7,12,18-19H,2-5,8,15H2,1H3,(H,20,21)/b16-7+/t12-/m0/s1 | | Definition date: | 2018-06-03 | | Last modified: | 2023-11-03 | | Release date: | 2019-05-29 | | Identifier: | (2~{S})-2-azanyl-6-[(~{E})-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid |
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 | | JMO | | Name: | (2R)-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid | | Formula: | C9 H14 N2 O4 | | SMILES: | CN[CH](C)C(=O)O[CH](CCC#N)C(O)=O | | InChi: | InChI=1S/C9H14N2O4/c1-6(11-2)9(14)15-7(8(12)13)4-3-5-10/h6-7,11H,3-4H2,1-2H3,(H,12,13)/t6-,7+/m0/s1 | | Definition date: | 2022-05-05 | | Last modified: | 2023-11-03 | | Release date: | 2023-03-22 | | Identifier: | (2~{R})-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid |
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 | | JMX | | Name: | (2S)-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid | | Formula: | C19 H19 Br N2 O2 | | SMILES: | CN[CH](Cc1cn(Cc2ccc(Br)cc2)c3ccccc13)C(O)=O | | InChi: | InChI=1S/C19H19BrN2O2/c1-21-17(19(23)24)10-14-12-22(18-5-3-2-4-16(14)18)11-13-6-8-15(20)9-7-13/h2-9,12,17,21H,10-11H2,1H3,(H,23,24)/t17-/m0/s1 | | Synonyms: | SC45647 | | Definition date: | 2022-05-05 | | Last modified: | 2023-11-03 | | Release date: | 2023-03-22 | | Identifier: | (2~{S})-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid |
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 | | JQ0 | | Name: | methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate | | Formula: | C15 H24 N2 O3 | | SMILES: | COC(=O)CN1[CH](CC(C)C)C=C[CH]2CCN[CH]2C1=O | | InChi: | InChI=1S/C15H24N2O3/c1-10(2)8-12-5-4-11-6-7-16-14(11)15(19)17(12)9-13(18)20-3/h4-5,10-12,14,16H,6-9H2,1-3H3/t11-,12-,14-/m0/s1 | | Definition date: | 2023-08-08 | | Last modified: | 2023-11-03 | | Release date: | 2023-08-16 | | Identifier: | methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate |
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 | | R6F | | Name: | methopterin | | Formula: | C20 H21 N7 O6 | | SMILES: | O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2N=C(N)NC(=O)c2n1 | | InChi: | InChI=1S/C20H21N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31)/t13-/m0/s1 | | Synonyms: | N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid | | Definition date: | 2022-06-21 | | Last modified: | 2023-11-02 | | Release date: | 2023-06-21 | | Identifier: | N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid |
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 | | T70 | | Name: | PF-05089771 | | Formula: | C18 H12 Cl2 F N5 O3 S2 | | SMILES: | Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[S](=O)(=O)Nc4cscn4 | | InChi: | InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25) | | Synonyms: | 4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide | | Definition date: | 2023-04-20 | | Last modified: | 2023-11-01 | | Release date: | 2023-06-14 | | Identifier: | 4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide |
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 | | T7F | | Name: | Vinpocetine | | Formula: | C22 H26 N2 O2 | | SMILES: | CCOC(=O)C1=C[C]2(CC)CCCN3CCc4c5ccccc5n1c4[CH]23 | | InChi: | InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | | Synonyms: | Ethyl apovincaminate | | Definition date: | 2023-04-20 | | Last modified: | 2023-11-01 | | Release date: | 2023-06-14 |
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 | | PJO | | Name: | Benziodarone | | Formula: | C17 H12 I2 O3 | | SMILES: | CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3 | | InChi: | InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 | | Synonyms: | Amplivix | | Definition date: | 2023-03-06 | | Last modified: | 2023-11-01 | | Release date: | 2023-06-28 | | Identifier: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone |
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 | | UGU | | Name: | (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid | | Formula: | C20 H34 O5 | | SMILES: | CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O | | InChi: | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | | Synonyms: | Dinoprost | | Definition date: | 2023-05-30 | | Last modified: | 2023-11-01 | | Release date: | 2023-07-12 | | Identifier: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid |
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 | | X4U | | Name: | Citarinostat | | Formula: | C24 H26 Cl N5 O3 | | SMILES: | ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1Cl)c1ccccc1 | | InChi: | InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31) | | Synonyms: | 2-[(2-chlorophenyl)(phenyl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide | | Definition date: | 2023-05-31 | | Last modified: | 2023-11-01 | | Release date: | 2023-09-06 | | Identifier: | 2-[(2-chlorophenyl)(phenyl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide |
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 | | TB4 | | Name: | Vixotrigine | | Formula: | C18 H19 F N2 O2 | | SMILES: | NC(=O)[CH]1CC[CH](N1)c2ccc(OCc3ccccc3F)cc2 | | InChi: | InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1 | | Synonyms: | (2~{S},5~{R})-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide | | Definition date: | 2023-04-21 | | Last modified: | 2023-11-01 | | Release date: | 2023-06-14 | | Identifier: | (2~{S},5~{R})-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide |
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 | | OJ0 | | Name: | Levobupivacaine | | Formula: | C18 H28 N2 O | | SMILES: | CCCCN1CCCC[CH]1C(=O)Nc2c(C)cccc2C | | InChi: | InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1 | | Synonyms: | (2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide | | Definition date: | 2023-02-04 | | Last modified: | 2023-11-01 | | Release date: | 2023-06-14 | | Identifier: | (2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide |
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 | | R5F | | Name: | Rotigotine | | Formula: | C19 H25 N O S | | SMILES: | CCCN(CCc1sccc1)[CH]2CCc3c(O)cccc3C2 | | InChi: | InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1 | | Synonyms: | (6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol | | Definition date: | 2023-03-31 | | Last modified: | 2023-11-01 | | Release date: | 2023-06-07 | | Identifier: | (6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol |
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 | | WYB | | Name: | 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid) | | Formula: | C11 H6 Cl N3 O6 | | SMILES: | Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O | | InChi: | InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21) | | Synonyms: | Lodoxamide | | Definition date: | 2022-10-24 | | Last modified: | 2023-10-31 | | Release date: | 2023-02-08 | | Identifier: | 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid) |
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 | | OCW | | Name: | Tetracenomycin X | | Formula: | C24 H22 O11 | | SMILES: | COC(=O)c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[CH](O)[C]4(O)C(=O)c3cc2cc1OC | | InChi: | InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1 | | Synonyms: | methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate | | Definition date: | 2020-02-27 | | Last modified: | 2023-10-31 | | Release date: | 2020-07-01 | | Identifier: | methyl (6~{a}~{R},7~{S},10~{a}~{R})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{H}-tetracene-2-carboxylate |
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 | | ZXH | | Name: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide | | Formula: | C23 H28 Cl N3 O3 | | SMILES: | OC1COCC1(C)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl | | InChi: | InChI=1S/C23H28ClN3O3/c1-23(13-30-12-20(23)28)27-6-4-14(5-7-27)18-8-16-10-21(26-22(29)15-2-3-15)25-11-17(16)9-19(18)24/h8-11,14-15,20,28H,2-7,12-13H2,1H3,(H,25,26,29)/t20-,23+/m0/s1 | | Definition date: | 2023-04-17 | | Last modified: | 2023-10-27 | | Release date: | 2023-11-01 | | Identifier: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide |
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 | | ZXL | | Name: | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide | | Formula: | C27 H32 Cl N5 O3 | | SMILES: | OC1COCC1(C)N1CCC(CC1)c1cc2cc(NC(=O)C3CC3c3cn(C)nc3)ncc2cc1Cl | | InChi: | InChI=1S/C27H32ClN5O3/c1-27(15-36-14-24(27)34)33-5-3-16(4-6-33)21-7-17-9-25(29-11-18(17)8-23(21)28)31-26(35)22-10-20(22)19-12-30-32(2)13-19/h7-9,11-13,16,20,22,24,34H,3-6,10,14-15H2,1-2H3,(H,29,31,35)/t20-,22+,24+,27-/m1/s1 | | Definition date: | 2023-04-17 | | Last modified: | 2023-10-27 | | Release date: | 2023-11-01 | | Identifier: | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide |
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 | | ZXP | | Name: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide | | Formula: | C26 H33 Cl N4 O4 | | SMILES: | OC1COCC1(C)N1CCN(CC1)c1cc2cc(NC(=O)C3CC43CCOCC4)ncc2cc1Cl | | InChi: | InChI=1S/C26H33ClN4O4/c1-25(16-35-15-22(25)32)31-6-4-30(5-7-31)21-11-17-12-23(28-14-18(17)10-20(21)27)29-24(33)19-13-26(19)2-8-34-9-3-26/h10-12,14,19,22,32H,2-9,13,15-16H2,1H3,(H,28,29,33)/t19-,22+,25-/m1/s1 | | Definition date: | 2023-04-17 | | Last modified: | 2023-10-27 | | Release date: | 2023-11-01 | | Identifier: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide |
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 | | UBL | | Name: | [(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate | | Formula: | C21 H41 O7 P | | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O | | InChi: | InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1 | | Definition date: | 2023-05-25 | | Last modified: | 2023-10-27 | | Release date: | 2023-11-01 | | Identifier: | [(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] (~{Z})-octadec-9-enoate |
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 | | YT9 | | Name: | 3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol | | Formula: | C7 H15 B N O6 | | SMILES: | OCC1(N)CO[B-]2(OCC(O)CO2)OC1 | | InChi: | InChI=1S/C7H15BNO6/c9-7(3-10)4-14-8(15-5-7)12-1-6(11)2-13-8/h6,10-11H,1-5,9H2/q-1/t6-,7-,8-/m0/s1 | | Definition date: | 2023-06-20 | | Last modified: | 2023-10-27 | | Release date: | 2023-11-01 | | Identifier: | [(2S)-2-amino-2-[(hydroxy-kappaO)methyl]propane-1,3-diolato(2-)-kappaO~1~][(2S)-propane-1,2,3-triolato(2-)-kappa~2~O~1~,O~3~]borate(1-) |
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 | | TJI | | Name: | ethyl 3-bromanyl-2-methyl-propanoate | | Formula: | C6 H11 Br O2 | | SMILES: | CCOC(=O)[CH](C)CBr | | InChi: | InChI=1S/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3/t5-/m0/s1 | | Synonyms: | Ethyl 2-(bromomethyl)acrylate (precursor) | | Definition date: | 2023-01-06 | | Last modified: | 2023-10-27 | | Release date: | 2023-11-01 | | Identifier: | ethyl 3-bromanyl-2-methyl-propanoate |
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 | | ZIZ | | Name: | N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide | | Formula: | C15 H21 I3 N6 O6 | | SMILES: | ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)C(=O)CNC(=O)CI | | InChi: | InChI=1S/C15H21I3N6O6/c16-1-10(25)19-4-13(28)22-7-23(14(29)5-20-11(26)2-17)9-24(8-22)15(30)6-21-12(27)3-18/h1-9H2,(H,19,25)(H,20,26)(H,21,27) | | Definition date: | 2023-06-26 | | Last modified: | 2023-10-27 | | Release date: | 2023-11-01 | | Identifier: | ~{N}-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide |
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 | | YHL | | Name: | tetrabenazine | | Formula: | C19 H27 N O3 | | SMILES: | CC(C)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O | | InChi: | InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1 | | Synonyms: | (3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one | | Definition date: | 2023-06-17 | | Last modified: | 2023-10-27 | | Release date: | 2023-11-01 | | Identifier: | (3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one |
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