 | | VJL | | Name: | Co-linked Tetra-amido macrocyclic ligand | | Formula: | C29 H37 Co N7 O6 S | | SMILES: | CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Co]234)C(=O)NCCCC[CH]6SC[CH]7NC(=O)N[CH]67 | | InChi: | InChI=1S/C29H41N7O6S.Co/c1-27(2)22(38)35-28(3,4)24(40)31-16-11-10-15(13-17(16)32-25(41)29(5,6)36-23(27)39)21(37)30-12-8-7-9-19-20-18(14-43-19)33-26(42)34-20 | | Definition date: | 2023-03-09 | | Last modified: | 2023-10-13 | | Release date: | 2023-10-18 |
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 | | 1IE | | Name: | ~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine | | Formula: | C19 H16 N2 S | | SMILES: | CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1 | | InChi: | InChI=1S/C19H16N2S/c1-22-14-7-4-6-13(12-14)20-19-15-8-2-3-10-17(15)21-18-11-5-9-16(18)19/h2-12,20-21H,1H3 | | Definition date: | 2022-10-13 | | Last modified: | 2023-10-13 | | Release date: | 2023-10-18 | | Identifier: | ~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine |
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 | | WSN | | Name: | N-[(2R)-4-amino-1-imino-4-oxobutan-2-yl]-1-(1-{4-[(2,4-difluorophenyl)methoxy]phenyl}cyclopropane-1-carbonyl)-L-prolinamide | | Formula: | C26 H28 F2 N4 O4 | | SMILES: | O=C(NC(C=N)CC(N)=O)C1CCCN1C(=O)C1(CC1)c1ccc(OCc2ccc(F)cc2F)cc1 | | InChi: | InChI=1S/C26H28F2N4O4/c27-18-6-3-16(21(28)12-18)15-36-20-7-4-17(5-8-20)26(9-10-26)25(35)32-11-1-2-22(32)24(34)31-19(14-29)13-23(30)33/h3-8,12,14,19,22,29H,1-2,9-11,13,15H2,(H2,30,33)(H,31,34)/b29-14-/t19-,22-/m0/s1 | | Definition date: | 2022-10-17 | | Last modified: | 2023-10-06 | | Release date: | 2023-10-11 | | Identifier: | N-[(2R)-4-amino-1-imino-4-oxobutan-2-yl]-1-(1-{4-[(2,4-difluorophenyl)methoxy]phenyl}cyclopropane-1-carbonyl)-L-prolinamide |
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 | | U9L | | Name: | 1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline | | Formula: | C22 H21 Cl N4 | | SMILES: | Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5)c1 | | InChi: | InChI=1S/C22H21ClN4/c23-17-5-3-4-16(14-17)15-27-11-8-19-21(27)18-6-1-2-7-20(18)25-22(19)26-12-9-24-10-13-26/h1-8,11,14,24H,9-10,12-13,15H2 | | Definition date: | 2023-01-31 | | Last modified: | 2023-10-06 | | Release date: | 2023-10-11 | | Identifier: | 1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline |
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 | | U9Q | | Name: | 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline | | Formula: | C21 H19 Cl N4 O2 S | | SMILES: | Clc1cccc(c1)[S](=O)(=O)n2ccc3c(nc4ccccc4c23)N5CCNCC5 | | InChi: | InChI=1S/C21H19ClN4O2S/c22-15-4-3-5-16(14-15)29(27,28)26-11-8-18-20(26)17-6-1-2-7-19(17)24-21(18)25-12-9-23-10-13-25/h1-8,11,14,23H,9-10,12-13H2 | | Definition date: | 2023-01-31 | | Last modified: | 2023-10-06 | | Release date: | 2023-10-11 | | Identifier: | 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline |
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 | | OY6 | | Name: | ~{N}-(2-methoxyphenyl)-4-[[2-(4-oxidanylidene-3~{H}-quinazolin-2-yl)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]benzamide | | Formula: | C30 H27 N5 O4 S | | SMILES: | COc1ccccc1NC(=O)c2ccc(NC(=O)N(CCC3=Nc4ccccc4C(=O)N3)Cc5sccc5)cc2 | | InChi: | InChI=1S/C30H27N5O4S/c1-39-26-11-5-4-10-25(26)33-28(36)20-12-14-21(15-13-20)31-30(38)35(19-22-7-6-18-40-22)17-16-27-32-24-9-3-2-8-23(24)29(37)34-27/h2-15,18H,16-17,19H2,1H3,(H,31,38)(H,33,36)(H,32,34,37) | | Definition date: | 2022-09-28 | | Last modified: | 2023-10-06 | | Release date: | 2023-10-11 | | Identifier: | ~{N}-(2-methoxyphenyl)-4-[[2-(4-oxidanylidene-3~{H}-quinazolin-2-yl)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]benzamide |
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 | | X5K | | Name: | N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | | Formula: | C48 H69 N13 O5 S | | SMILES: | Cc1n(C)nc(C)c1CN(C)c1nc(nc(n1)N(C)CCC(=O)NC1CC1)N1CCC(CC1)CCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1)c1scnc1C)C(C)(C)C | | InChi: | InChI=1S/C48H69N13O5S/c1-29-37(31(3)59(9)56-29)27-58(8)46-53-45(57(7)21-20-40(64)51-35-15-16-35)54-47(55-46)60-22-18-32(19-23-60)12-17-39(63)52-42(48(4,5)6)44(66)61-26-36(62)24-38(61)43(65)49-25-33-10-13-34(14-11-33)41-30(2)50-28-67-41/h10-11,13-14,28,32,35-36,38,42,62H,12,15-27H2,1-9H3,(H,49,65)(H,51,64)(H,52,63)/t36-,38+,42-/m1/s1 | | Definition date: | 2022-10-28 | | Last modified: | 2023-09-29 | | Release date: | 2023-10-04 | | Identifier: | N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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 | | YM6 | | Name: | 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine | | Formula: | C14 H16 N6 O | | SMILES: | NC[CH]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23 | | InChi: | InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)/t9-/m1/s1 | | Definition date: | 2011-06-06 | | Last modified: | 2023-09-23 | | Identifier: | [(2~{R})-4-(4,6,8,11-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-3-yl)morpholin-2-yl]methanamine |
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 | | 188 | | Name: | PYOCHELIN FE(III) | | Formula: | C14 H14 Fe N2 O3 S2 | | SMILES: | CN1[CH]2CS[CH]1[CH]3CSC(=N3)c4ccccc4O[Fe]OC2=O | | InChi: | InChI=1S/C14H16N2O3S2.Fe/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17 | | Definition date: | 2004-10-13 | | Last modified: | 2023-09-23 |
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 | | N2U | | Name: | O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate | | Formula: | C24 H30 N2 O6 | | SMILES: | CCOC(=O)C1=CC[C](N[CH]1C(=O)OC(C)(C)C)(C(=O)OC)c2cc3ccccc3n2C | | InChi: | InChI=1S/C24H30N2O6/c1-7-31-20(27)16-12-13-24(22(29)30-6,25-19(16)21(28)32-23(2,3)4)18-14-15-10-8-9-11-17(15)26(18)5/h8-12,14,19,25H,7,13H2,1-6H3/t19-,24+/m0/s1 | | Definition date: | 2022-08-11 | | Last modified: | 2023-09-23 | | Release date: | 2022-08-24 | | Identifier: | ~{O}2-~{tert}-butyl ~{O}3-ethyl ~{O}6-methyl (2~{S},6~{R})-6-(1-methylindol-2-yl)-2,5-dihydro-1~{H}-pyridine-2,3,6-tricarboxylate |
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 | | N39 | | Name: | O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate | | Formula: | C31 H36 N2 O8 S | | SMILES: | CCOC(=O)C1=CC[C](N([CH]1C(=O)OC(C)(C)C)[S](=O)(=O)c2ccc(C)cc2)(C(=O)OC)c3cc4ccccc4n3C | | InChi: | InChI=1S/C31H36N2O8S/c1-8-40-27(34)23-17-18-31(29(36)39-7,25-19-21-11-9-10-12-24(21)32(25)6)33(26(23)28(35)41-30(3,4)5)42(37,38)22-15-13-20(2)14-16-22/h9-17,19,26H,8,18H2,1-7H3/t26-,31+/m0/s1 | | Synonyms: | 3-formyl rifamycin SV | | Definition date: | 2022-08-11 | | Last modified: | 2023-09-23 | | Release date: | 2022-08-24 | | Identifier: | ~{O}2-~{tert}-butyl ~{O}3-ethyl ~{O}6-methyl (2~{S},6~{R})-6-(1-methylindol-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyridine-2,3,6-tricarboxylate |
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 | | N9O | | Name: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide | | Formula: | C26 H31 N5 O4 S | | SMILES: | CN(C)c1ccc2C(=O)N(CCNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)C(=O)c5cccc1c25 | | InChi: | InChI=1S/C26H31N5O4S/c1-30(2)19-11-10-17-22-15(19)6-5-7-16(22)24(33)31(25(17)34)13-12-27-21(32)9-4-3-8-20-23-18(14-36-20)28-26(35)29-23/h5-7,10-11,18,20,23H,3-4,8-9,12-14H2,1-2H3,(H,27,32)(H2,28,29,35)/t18-,20-,23-/m0/s1 | | Definition date: | 2022-08-15 | | Last modified: | 2023-09-23 | | Release date: | 2022-08-31 | | Identifier: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide |
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 | | Q3Z | | Name: | Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | | Formula: | C20 H17 N5 O4 Pt | | SMILES: | N.N.[Pt].O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35 | | InChi: | InChI=1S/C20H11N3O4.2H3N.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10 | | Definition date: | 2023-03-23 | | Last modified: | 2023-09-23 | | Release date: | 2023-06-28 |
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 | | REP | | Name: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I) | | Formula: | C15 H8 N2 O3 Re | | SMILES: | [Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc3cccnc23 | | InChi: | InChI=1S/C12H8N2.3CO.Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1 | | Definition date: | 2001-10-03 | | Last modified: | 2023-09-23 |
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 | | RHX | | Name: | [2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III) | | Formula: | C24 H19 N2 O2 Rh | | SMILES: | [Rh]c1c(cccc1C2=N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5 | | InChi: | InChI=1S/C24H19N2O2.Rh/c1-3-8-17(9-4-1)21-15-27-23(25-21)19-12-7-13-20(14-19)24-26-22(16-28-24)18-10-5-2-6-11-18 | | Synonyms: | [2,6-BIS(4-PHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL-KAPPAN)PHENYL-KAPPAC~1~]RHODIUM(3+) | | Definition date: | 2007-02-23 | | Last modified: | 2023-09-23 |
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 | | RTB | | Name: | (2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II) | | Formula: | C27 H19 N5 Ru | | SMILES: | [Ru++].c1ccc(nc1)c2cccc(n2)c3ccccn3.c4cnc5c(c4)ccc6cccnc56 | | InChi: | InChI=1S/C15H11N3.C12H8N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13 | | Definition date: | 2001-10-03 | | Last modified: | 2023-09-23 |
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 | | 4YM | | Name: | ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | | Formula: | C21 H22 N6 O3 | | SMILES: | CCOC(=O)c1cnc2[nH]nc(c3cccc(c3)C#N)c2c1N4CCO[CH](CN)C4 | | InChi: | InChI=1S/C21H22N6O3/c1-2-29-21(28)16-11-24-20-17(19(16)27-6-7-30-15(10-23)12-27)18(25-26-20)14-5-3-4-13(8-14)9-22/h3-5,8,11,15H,2,6-7,10,12,23H2,1H3,(H,24,25,26)/t15-/m1/s1 | | Definition date: | 2011-06-06 | | Last modified: | 2023-09-23 | | Identifier: | ethyl 4-[(2~{R})-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1~{H}-pyrazolo[3,4-b]pyridine-5-carboxylate |
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 | | U40 | | Name: | 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione | | Formula: | C29 H30 N4 O3 | | SMILES: | O=C1NC(=O)C2(CCN(CC2)C(=O)c3cc(nc4ccccc34)c5ccc(cc5)C6CCCCC6)N1 | | InChi: | InChI=1S/C29H30N4O3/c34-26(33-16-14-29(15-17-33)27(35)31-28(36)32-29)23-18-25(30-24-9-5-4-8-22(23)24)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h4-5,8-13,18-19H,1-3,6-7,14-17H2,(H2,31,32,35,36) | | Definition date: | 2023-01-24 | | Last modified: | 2023-09-22 | | Release date: | 2023-09-27 | | Identifier: | 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione |
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 | | U9F | | Name: | {3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron | | Formula: | C47 H46 B F3 I N9 O7 | | SMILES: | F[B-]1(F)[N+]=2C(=Cc3ccc(c4ccc[NH]4)n31)C=CC=2CCC(=O)NCCOCCOCCC(=O)Nc1cccc(c1)N1C2=C(C)C(=O)N(C)C(Nc3ccc(I)cc3F)=C2C(=O)N(C1=O)C1CC1 | | InChi: | InChI=1S/C47H46BF3IN9O7/c1-28-43-42(44(57(2)45(28)64)56-37-15-8-29(52)25-36(37)49)46(65)59(31-9-10-31)47(66)58(43)33-6-3-5-30(26-33)55-41(63)18-21-67-23-24-68-22-20-54-40(62)17-14-32-11-12-34-27-35-13-16-39(38-7-4-19-53-38)61(35)48(50,51)60(32)34/h3-8,11-13,15-16,19,25-27,31,53,56H,9-10,14,17-18,20-24H2,1-2H3,(H,54,62)(H,55,63) | | Definition date: | 2023-08-30 | | Last modified: | 2023-09-22 | | Release date: | 2023-09-27 | | Identifier: | {3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron |
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 | | V3O | | Name: | N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide | | Formula: | C15 H13 Cl N4 O S2 | | SMILES: | CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc2)n1 | | InChi: | InChI=1S/C15H13ClN4OS2/c1-8-13(23-15(17-8)18-9(2)21)12-7-22-14(20-12)19-11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,20)(H,17,18,21) | | Definition date: | 2023-09-07 | | Last modified: | 2023-09-22 | | Release date: | 2023-09-27 | | Identifier: | N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide |
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 | | JRI | | Name: | (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide | | Formula: | C20 H22 F N5 O2 | | SMILES: | C[CH]1CN(C[CH](O1)C(=O)N[CH]2CNC[CH]2F)c3ccc(C#N)c4ncccc34 | | InChi: | InChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m1/s1 | | Definition date: | 2022-08-25 | | Last modified: | 2023-09-22 | | Release date: | 2023-09-27 | | Identifier: | (2~{R},6~{R})-4-(8-cyanoquinolin-5-yl)-~{N}-[(3~{S},4~{R})-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide |
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 | | Q09 | | Name: | 2-(4-ethoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide | | Formula: | C27 H33 N3 O2 | | SMILES: | CCOc1ccc(cc1)c2cc(C(=O)NCCCN3CCCC[CH]3C)c4ccccc4n2 | | InChi: | InChI=1S/C27H33N3O2/c1-3-32-22-14-12-21(13-15-22)26-19-24(23-10-4-5-11-25(23)29-26)27(31)28-16-8-18-30-17-7-6-9-20(30)2/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,28,31)/t20-/m1/s1 | | Definition date: | 2023-03-09 | | Last modified: | 2023-09-22 | | Release date: | 2023-09-27 | | Identifier: | 2-(4-ethoxyphenyl)-~{N}-[3-[(2~{R})-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide |
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 | | 7UH | | Name: | Doxofylline | | Formula: | C11 H14 N4 O4 | | SMILES: | CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O | | InChi: | InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3 | | Synonyms: | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione | | Definition date: | 2021-10-27 | | Last modified: | 2023-09-20 | | Release date: | 2023-02-01 | | Identifier: | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione |
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 | | IUD | | Name: | Paltusotine | | Formula: | C27 H22 F2 N4 O | | SMILES: | NC1CCN(CC1)c2c(cnc3ccc(cc23)c4cccc(C#N)c4O)c5cc(F)cc(F)c5 | | InChi: | InChI=1S/C27H22F2N4O/c28-19-10-18(11-20(29)13-19)24-15-32-25-5-4-16(22-3-1-2-17(14-30)27(22)34)12-23(25)26(24)33-8-6-21(31)7-9-33/h1-5,10-13,15,21,34H,6-9,31H2 | | Synonyms: | 3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile | | Definition date: | 2022-07-14 | | Last modified: | 2023-09-15 | | Release date: | 2023-04-19 | | Identifier: | 3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile |
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 | | IVB | | Name: | nalfurafine | | Formula: | C28 H32 N2 O5 | | SMILES: | CN([CH]1CC[C]2(O)[CH]3Cc4ccc(O)c5O[CH]1[C]2(CCN3CC6CC6)c45)C(=O)C=Cc7cocc7 | | InChi: | InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1 | | Synonyms: | ~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-propanamide | | Definition date: | 2022-07-19 | | Last modified: | 2023-09-15 | | Release date: | 2023-04-12 | | Identifier: | (~{E})-~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-prop-2-enamide |
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