itraconazole, (R)-(+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H38Cl2N8O4
Molecular Weight	705.633
Optical Activity	( + )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@H]5CO[C@@](CN6C=NC=N6)(O5)C7=C(Cl)C=C(Cl)C=C7)C=C4

InChI

InChIKey=VHVPQPYKVGDNFY-TUJWMRSMSA-N

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-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

itraconazole, (R)-(+)-

Common Name

English

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-[(1S)-1-methylpropyl]-3H-1,2,4-triazol-3-one

Systematic Name

English

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-[(1S)-1-methylpropyl]-

Systematic Name

English

Code System Code Type Description

CAS

154003-18-6

Created by admin on Sat Dec 16 18:16:48 GMT 2023 , Edited by admin on Sat Dec 16 18:16:48 GMT 2023

PRIMARY

EPA CompTox

DTXSID60109856

Created by admin on Sat Dec 16 18:16:48 GMT 2023 , Edited by admin on Sat Dec 16 18:16:48 GMT 2023

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PUBCHEM

14179013

Created by admin on Sat Dec 16 18:16:48 GMT 2023 , Edited by admin on Sat Dec 16 18:16:48 GMT 2023

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FDA UNII

HZ72DKP4U9

Created by admin on Sat Dec 16 18:16:48 GMT 2023 , Edited by admin on Sat Dec 16 18:16:48 GMT 2023

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SUBSTANCE RECORD


					HZ72DKP4U9

itraconazole, (R)-(+)-