 | | X6E | | Name: | 2-ethyl-D-norvaline | | Formula: | C7 H15 N O2 | | SMILES: | CCCC(N)(CC)C(=O)O | | InChi: | InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1 | | Definition date: | 2023-06-02 | | Last modified: | 2023-11-03 | | Release date: | 2023-08-16 | | Identifier: | 2-ethyl-D-norvaline |
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 | | X9B | | Name: | (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | | Formula: | C24 H27 Cl N4 O4 | | SMILES: | CC(C)(OC)COc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC | | InChi: | InChI=1S/C24H27ClN4O4/c1-24(2,32-4)13-33-18-12-26-10-8-14(18)20-21(19-16(28-20)9-11-27-23(19)30)29-17-7-5-6-15(25)22(17)31-3/h5-8,10,12,28-29H,9,11,13H2,1-4H3,(H,27,30) | | Definition date: | 2022-11-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one |
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 | | X9H | | Name: | N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide | | Formula: | C23 H20 N6 O | | SMILES: | C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1 | | InChi: | InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1 | | Definition date: | 2022-11-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide |
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 | | X9Q | | Name: | {(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID | | Formula: | C14 H17 N3 O3 | | SMILES: | O=C1C(=NC(N1CC(=O)O)C(N)C)Cc2ccccc2 | | InChi: | InChI=1S/C14H17N3O3/c1-9(15)13-16-11(7-10-5-3-2-4-6-10)14(20)17(13)8-12(18)19/h2-6,9,13H,7-8,15H2,1H3,(H,18,19)/t9-,13-/m0/s1 | | Synonyms: | CHROMOPHORE (ALA, PHE, GLY) | | Definition date: | 2007-03-22 | | Last modified: | 2023-11-03 | | Identifier: | {(2S)-2-[(1S)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | XA6 | | Name: | (2S)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid | | Formula: | C10 H12 N2 O3 | | SMILES: | N[CH](Cc1ccc(cc1)C(N)=O)C(O)=O | | InChi: | InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2023-11-03 | | Release date: | 2021-12-15 | | Identifier: | (2~{S})-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid |
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 | | XAW | | Name: | [(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone | | Formula: | C21 H28 Cl N3 O | | SMILES: | O=C(N1CCN(CC1)c1cc(Cl)ccc1N)C12CC3CC(C1)CC(C3)C2 | | InChi: | InChI=1S/C21H28ClN3O/c22-17-1-2-18(23)19(10-17)24-3-5-25(6-4-24)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13,23H2/t14-,15+,16-,21- | | Definition date: | 2022-11-08 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | [(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone |
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 | | XC0 | | Name: | (2S)-2-aminooctanoic acid | | Formula: | C8 H17 N O2 | | SMILES: | NC(CCCCCC)C(=O)O | | InChi: | InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1 | | Definition date: | 2022-11-10 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-01 | | Identifier: | (2S)-2-aminooctanoic acid |
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 | | XDD | | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine | | Formula: | C14 H19 N7 O3 | | SMILES: | C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N | | InChi: | InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1 | | Definition date: | 2020-12-11 | | Last modified: | 2023-11-03 | | Release date: | 2020-12-23 | | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine |
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 | | XDJ | | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine | | Formula: | C14 H19 N7 O4 | | SMILES: | C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O | | InChi: | InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1 | | Definition date: | 2020-12-11 | | Last modified: | 2023-11-03 | | Release date: | 2020-12-23 | | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine |
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 | | XDV | | Name: | 2-[2-(2-aminoethoxy)ethoxy]acetamide | | Formula: | C6 H14 N2 O3 | | SMILES: | NC(COCCOCCN)=O | | InChi: | InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9) | | Definition date: | 2020-12-11 | | Last modified: | 2023-11-03 | | Release date: | 2020-12-23 | | Identifier: | 2-[2-(2-aminoethoxy)ethoxy]acetamide |
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 | | XDY | | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine | | Formula: | C14 H20 N4 O5 | | SMILES: | C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O | | InChi: | InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1 | | Definition date: | 2020-12-11 | | Last modified: | 2023-11-03 | | Release date: | 2020-12-23 | | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
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 | | XEP | | Name: | 2-nitrosopropane | | Formula: | C3 H7 N O | | SMILES: | CC(N=O)C | | InChi: | InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3 | | Definition date: | 2020-12-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-nitrosopropane |
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 | | XO9 | | Name: | 1,3-benzothiazole-2(3H)-thione | | Formula: | C7 H5 N S2 | | SMILES: | S=C1Nc2ccccc2S1 | | InChi: | InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) | | Synonyms: | 2-mercaptobenzothiazole, thione tautomer | | Definition date: | 2022-12-02 | | Last modified: | 2023-11-02 | | Release date: | 2023-03-01 | | Identifier: | 1,3-benzothiazole-2(3H)-thione |
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 | | KX0 | | Name: | Tinengotinib | | Formula: | C20 H19 Cl N6 O | | SMILES: | Cc1[nH]nc2Nc3cc(ncc3C(=Nc12)c4ccccc4Cl)N5CCOCC5 | | InChi: | InChI=1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26) | | Synonyms: | 4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine | | Definition date: | 2022-10-26 | | Last modified: | 2023-11-02 | | Release date: | 2023-10-25 | | Identifier: | 4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine |
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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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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