CAS Registry Number®
84625-61-6
CAS Name
Itraconazole
Molecular Formula
C35H38Cl2N8O4
Molecular Mass
705.63
Compound Properties
-
Melting Point (1)
166.2 °C
-
Density (2)
1.27 g/cm³
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
- (2) Janssens, Sandrien; European Journal of Pharmaceutics and Biopharmaceutics, (2008), 69(1), 158-166, CAplus
Other Names and Identifiers
InChI
InChI=1/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
InChIKey
InChIKey=VHVPQPYKVGDNFY-UHFFFAOYNA-N
SMILES
C(C1(OC(COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)N(C(CC)C)N=C5)CO1)C6=C(Cl)C=C(Cl)C=C6)N7C=NC=N7
Canonical SMILES
O=C1N(N=CN1C2=CC=C(C=C2)N3CCN(C4=CC=C(OCC5OC(OC5)(C6=CC=C(Cl)C=C6Cl)CN7N=CN=C7)C=C4)CC3)C(C)CC
Other Names for this Substance
- 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-(1-methylpropyl)-, rel–
- rel-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-(1-methylpropyl)-3H-1,2,4-triazol-3-one
- Itraconazole
- R 51211
- Oriconazole
- Sporanox
- Orungal
- Itrizole
- Triasporin
- Sempera
- Canditral
- Traconal
- Sporamelt
- Spherazole CR
- Spherazole IR
- Sporonox
- Sporal
- Itrac
- Cladosal 100
- Itralek
- Sporanox IV
- Candistat
- cis-Itraconazole
- SUBA Itraconazole
- Orungamin
- PUR 1900
- Fungitraxx
- MeSH ID: D017964
