Orungal
2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-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
Molecular Identity
Orungal
2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-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
PubChem CID: 6917738
2D Structure
Properties
C35H38Cl2N8O4
Molecular Formula
705.60
Molecular Weight
g/mol
704.2393
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
101
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
9
H-Bond Acceptors
1120
Complexity
SMILES
Canonical SMILES
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)ClIsomeric SMILES
SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)ClSynonyms(20)
OrungalRefChem:7924702-butan-2-yl-4-(4-(4-(4-(((2S,4R)-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-oneHyphanox(2S,4R)-Itraconazole (Mixture of Diastereomers)Itraconazol [Spanish]Itraconazolum [Latin]cis-Itraconazole939027-87-9ProkanazolSpherazoleCanadiolSUBA ItraconazoleUNII-304NUG5GF4Itrakonazol
Data from PubChem (NCBI)
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