Ligand Information
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| Ligand ID |
L32JBN
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| Ligand Name |
2-[(2r)-Butan-2-Yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-Dichlorophenyl)-2-(1h-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]methoxy}phenyl)piperazin-1-Yl]phenyl}-2,4-Dihydro-3h-1,2,4-Triazol-3-One
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| Synonyms |
R67CDS9QK4; Itraconazole, (S)-(+)-; CHEMBL1835951; itraconazole; 154003-17-5; 2-[(2R)-butan-2-yl]-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one; 2-[(2r)-Butan-2-Yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-Dichlorophenyl)-2-(1h-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]methoxy}phenyl)piperazin-1-Yl]phenyl}-2,4-Dihydro-3h-1,2,4-Triazol-3-One; 84625-61-6; 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-2-((1R)-1-methylpropyl)-; 3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-[(1R)-1-methylpropyl]-; 4-(4-(4-(4-(((2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-2,4-dihydro-2-((1R)-1-methylpropyl)-3H-1,2,4-triazol-3-one; 4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-[(1R)-1-methylpropyl]-3H-1,2,4-triazol-3-one; UNII-R67CDS9QK4; SCHEMBL64913; ZINC4097343; BDBM50088483; Q27452583; 4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-[(1H-1,2,4-triazole-1-yl)methyl]-1,3-dioxolane-4-yl]methoxy]phenyl]piperazine-1-yl]phenyl]-1-[(1R)-1-methylpropyl]-1H-1,2,4-triazole-5(4H)-one
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| Structure |
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Download2D MOL |
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| Formula |
C35H38Cl2N8O4
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| Canonical SMILES |
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
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| InChI |
1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m1/s1
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| InChIKey |
VHVPQPYKVGDNFY-DFMJLFEVSA-N
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| PubChem Compound ID | ||||
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