 | | RHP | | Name: | (3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL | | Formula: | C12 H13 N O | | SMILES: | Oc1ccc2c(c1)C(NCC#C)CC2 | | InChi: | InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1 | | Synonyms: | 5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | | Definition date: | 2004-01-15 | | Last modified: | 2021-03-01 | | Identifier: | (3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-ol |
|
 | | SPP | | Name: | (1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | | Formula: | C22 H28 N6 O3 S | | SMILES: | O=C(c2cc1cc(NS(=O)(=O)C)ccc1n2)N4CCN(c3ncccc3NC(C)C)CC4 | | InChi: | InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3 | | Synonyms: | Delavirdine | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide |
|
 | | L04 | | Name: | 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID | | Formula: | C43 H48 F N3 O5 | | SMILES: | O=C(Nc1ccccc1)C(NC(=O)C(CCc3ccc(c2ccc(F)cc2)cc3)CC(C(=O)O)CCCCN5C(=O)c4ccccc4C5)CC(C)C | | InChi: | InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1 | | Synonyms: | L004 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S,4R)-6-(4'-fluorobiphenyl-4-yl)-4-{[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl}-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexanoic acid |
|
 | | PI4 | | Name: | 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE | | Formula: | C28 H43 N5 O6 | | SMILES: | O=C(NC(C)(C)C)C1N(CCCC1)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N | | InChi: | InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21-,22-,23+/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-1-{(2R)-2-[(8S,11S)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl}-N-tert-butylpiperidine-2-carboxamide |
|
 | | PI5 | | Name: | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE | | Formula: | C37 H53 N5 O7 | | SMILES: | O=C1N(CCC1)C(C(=O)NC(Cc2ccc(O)cc2)C(O)CNC4C(=O)NC(C(=O)NCCCOc3ccc(cc3)C4)C(C)CC)C(C)C | | InChi: | InChI=1S/C37H53N5O7/c1-5-24(4)33-36(47)38-17-7-19-49-28-15-11-26(12-16-28)21-30(35(46)41-33)39-22-31(44)29(20-25-9-13-27(43)14-10-25)40-37(48)34(23(2)3)42-18-6-8-32(42)45/h9-16,23-24,29-31,33-34,39,43-44H,5-8,17-22H2,1-4H3,(H,38,47)(H,40,48)(H,41,46)/t24-,29-,30-,31+,33-,34-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-N-[(1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide |
|
 | | PI6 | | Name: | [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER | | Formula: | C33 H48 N4 O6 | | SMILES: | O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC | | InChi: | InChI=1S/C33H48N4O6/c1-6-22(2)29-31(40)34-17-10-18-42-25-15-13-24(14-16-25)20-27(30(39)37-29)35-21-28(38)26(19-23-11-8-7-9-12-23)36-32(41)43-33(3,4)5/h7-9,11-16,22,26-29,35,38H,6,10,17-21H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)/t22-,26-,27-,28+,29-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | tert-butyl [(2S,3R)-4-{[(8S,11S)-8-[(2S)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
|
 | | LDT | | Name: | IDD594 | | Formula: | C16 H12 Br F2 N O3 S | | SMILES: | Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O)O | | InChi: | InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22) | | Synonyms: | [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID | | Definition date: | 2003-11-16 | | Last modified: | 2021-03-01 | | Identifier: | {2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid |
|
 | | PI8 | | Name: | N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE | | Formula: | C41 H54 N4 O6 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CNC5C(=O)NC(C(=O)NCCCCCOc4ccc(cc4)C5)C(C)CC | | InChi: | InChI=1S/C41H54N4O6/c1-3-27(2)37-41(50)42-20-10-5-11-21-51-33-18-16-29(17-19-33)23-35(40(49)44-37)43-26-32(46)24-31(22-28-12-6-4-7-13-28)39(48)45-38-34-15-9-8-14-30(34)25-36(38)47/h4,6-9,12-19,27,31-32,35-38,43,46-47H,3,5,10-11,20-26H2,1-2H3,(H,42,50)(H,44,49)(H,45,48)/t27-,31+,32-,35-,36+,37-,38-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 8 | | Definition date: | 1999-10-07 | | Last modified: | 2021-03-01 | | Identifier: | (2R,4S)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-{[(10S,13S)-10-[(1S)-1-methylpropyl]-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]amino}pentanamide (non-preferred name) |
|
 | | SPW | | Name: | N,N'-BIS(3-AMMONIOPROPYL)BUTANE-1,4-DIAMINIUM | | Formula: | C10 H20 N4 | | SMILES: | [2H][N+]([2H])(CCC[N+]([2H])([2H])[2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H] | | InChi: | InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4/i/hD10 | | Synonyms: | SPERMINE (FULLY DEUTERATED FORM) | | Definition date: | 2004-02-13 | | Last modified: | 2021-03-01 | | Identifier: | N,N'-bis[3-(~2~H_3_)ammoniopropyl]butane-1,4-(~2~H_4_)diaminium |
|
 | | CGO | | Name: | sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) | | Formula: | C32 H22 N6 Na2 O6 S2 | | SMILES: | [Na+][O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1)c4ccc(/N=N/c3c(c2ccccc2c(c3)S(=O)(=O)[O-][Na+])N)cc4)c(N)c6c5cccc6 | | InChi: | InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34 | | Synonyms: | congo red | | Definition date: | 2011-04-21 | | Last modified: | 2021-03-01 | | Identifier: | mu-{3,3'-[biphenyl-4,4'-diyldi(E)diazene-2,1-diyl]bis(4-aminonaphthalene-1-sulfonato-kappaO)(2-)}disodium |
|
 | | CGR | | Name: | CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE | | Formula: | C15 H23 N5 O14 P2 | | SMILES: | O=C1C=2N3CN(C=2N=C(N)N1)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O | | InChi: | InChI=1S/C15H23N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h4-5,7-10,13-14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,17,18,25)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1 | | Synonyms: | CYCLIC GDP-RIBOSE | | Definition date: | 2006-12-11 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R,4S,5R,8S,10S,13R,14S,15R,16R)-20-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,21-tetraaza-8,10-diphosphapentacyclo[15.6.1.1~2,5~.1~13,16~.0~18,23~]hexacosa-18(23),19-dien-22-one 8,10-dioxide (non-preferred name) |
|
 | | MM6 | | Name: | NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE) | | Formula: | C10 H20 N4 Ni | | SMILES: | N12CCCN3CCN4CCCN(CC1)[Ni]234 | | InChi: | InChI=1S/C10H20N4.Ni/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1 | | Synonyms: | NICKEL(II)(CYCLAM) | | Definition date: | 2006-06-19 | | Last modified: | 2021-03-01 | | Identifier: | [1,4,8,11-tetraazacyclotetradecanato(4-)-kappa~4~N~1~,N~4~,N~8~,N~11~]nickel |
|
 | | PIL | | Name: | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE | | Formula: | C18 H18 Cl2 N2 O3 | | SMILES: | Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(Cl)cnc3 | | InChi: | InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | | Synonyms: | PICLAMILAST | | Definition date: | 2004-11-17 | | Last modified: | 2021-03-01 | | Identifier: | 3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide |
|
 | | QB5 | | Name: | N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide | | Formula: | C21 H22 N4 O3 | | SMILES: | CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3 | | InChi: | InChI=1S/C21H22N4O3/c1-15(26)25-19-8-7-17(21(27)23-10-9-18-12-22-14-24-18)11-20(19)28-13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,24)(H,23,27)(H,25,26) | | Synonyms: | 4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide | | Definition date: | 2020-06-01 | | Last modified: | 2021-03-01 | | Release date: | 2020-07-29 | | Identifier: | 4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide |
|
 | | SQD | | Name: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL | | Formula: | C41 H78 O12 S | | SMILES: | O=S(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O | | InChi: | InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34-,35-,38-,39+,40-,41+/m1/s1 | | Synonyms: | SULFOQUINOVOSYLDIACYLGLYCEROL | | Definition date: | 2003-11-03 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2,3-bis(hexadecanoyloxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside |
|
 | | MMH | | Name: | N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide | | Formula: | C21 H22 N6 O3 | | SMILES: | O=C(Nc1cccc(c1)NC(=O)c3c(nnc3N/N=C/c2ccc(OC)cc2)C)C | | InChi: | InChI=1S/C21H22N6O3/c1-13-19(21(29)24-17-6-4-5-16(11-17)23-14(2)28)20(27-25-13)26-22-12-15-7-9-18(30-3)10-8-15/h4-12H,1-3H3,(H,23,28)(H,24,29)(H2,25,26,27)/b22-12+ | | Synonyms: | (E)-N-(3-Acetamidophenyl)-5-(2-(4-methoxybenzylidene)hydrazinyl)-3-methyl-1H-pyrazole-4-carboxamide | | Definition date: | 2008-12-02 | | Last modified: | 2021-03-01 | | Identifier: | N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide |
|
 | | CH5 | | Name: | 2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM | | Formula: | C8 H21 N O6 P | | SMILES: | O=P(OCC(O)CO)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 | | Synonyms: | GLYCERO-3-PHOSPHOCHOLINE | | Definition date: | 2005-08-12 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium |
|
 | | KLV | | Name: | 4-methylumbelliferyl phosphate | | Formula: | C10 H9 O6 P | | SMILES: | O=P(O)(O)Oc2ccc1c(OC(=O)C=C1C)c2 | | InChi: | InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14) | | Synonyms: | 4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate | | Definition date: | 2013-05-08 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-22 | | Identifier: | 4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate |
|
 | | BA5 | | Name: | methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate | | Formula: | C10 H9 N3 O4 | | SMILES: | COC(=O)C1=C(N)c2cccnc2N(O)C1=O | | InChi: | InChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3 | | Synonyms: | XZ462 | | Definition date: | 2017-09-29 | | Last modified: | 2021-03-01 | | Release date: | 2018-04-11 | | Identifier: | methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate |
|
 | | MMN | | Name: | 5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-D-GLUCITOL | | Formula: | C8 H19 N O6 | | SMILES: | OC(C(NC(O)C)CO)C(O)C(O)CO | | InChi: | InChI=1S/C8H19NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h4-15H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1 | | Synonyms: | N-ACETYLMANNOSAMINITOL | | Definition date: | 2004-10-27 | | Last modified: | 2021-03-01 | | Identifier: | 2-deoxy-2-{[(1S)-1-hydroxyethyl]amino}-D-mannitol |
|
 | | SQL | | Name: | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene | | Formula: | C30 H50 | | SMILES: | C(=C/CC/C(=C/CCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C)(C)C | | InChi: | InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ | | Synonyms: | squalene | | Definition date: | 2012-06-07 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-15 | | Identifier: | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
|
 | | PJ2 | | Name: | (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid | | Formula: | C20 H30 O4 | | SMILES: | O=C(O)CCC/C=CCC1C=CC(=O)C1=C/CC(O)CCCCC | | InChi: | InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14-/t16-,17-/m0/s1 | | Synonyms: | delta12-prostaglandine J2 | | Definition date: | 2009-09-29 | | Last modified: | 2021-03-01 | | Identifier: | (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid |
|
 | | RIT | | Name: | RITONAVIR | | Formula: | C37 H48 N6 O5 S2 | | SMILES: | O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C)Cc4ccccc4 | | InChi: | InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 | | Synonyms: | A-84538 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide |
|
 | | RIV | | Name: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide | | Formula: | C19 H18 Cl N3 O5 S | | SMILES: | O=C(NCC3OC(=O)N(c2ccc(N1C(=O)COCC1)cc2)C3)c4sc(Cl)cc4 | | InChi: | InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1 | | Synonyms: | Rivaroxaban | | Definition date: | 2008-10-24 | | Last modified: | 2021-03-01 | | Identifier: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide |
|
 | | RJ1 | | Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide | | Formula: | C9 H9 Cl F3 N5 | | SMILES: | Clc1ccc(cc1NC(=[N@H])NC(=[N@H])N)C(F)(F)F | | InChi: | InChI=1S/C9H9ClF3N5/c10-5-2-1-4(9(11,12)13)3-6(5)17-8(16)18-7(14)15/h1-3H,(H6,14,15,16,17,18) | | Synonyms: | 2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-1-chloro-4-(trifluoromethyl)benzene | | Definition date: | 2008-06-17 | | Last modified: | 2021-03-01 | | Identifier: | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide |
|
