POSACONAZOLE, (5S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42F2N8O4
Molecular Weight	700.7774
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@@H]5CO[C@@](CN6C=NC=N6)(C5)C7=CC=C(F)C=C7F)C=C4

InChI

InChIKey=RAGOYPUPXAKGKH-QBQZEPIBSA-N

InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H42F2N8O4
Molecular Weight	700.7774
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:22:24 GMT 2023` Edited by `admin` on `Sat Dec 16 19:22:24 GMT 2023`
Record UNII	LQ887LQ6AP
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

POSACONAZOLE, (5S)-

Common Name

English

4-[4-[4-[4-[[(3R,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one

Systematic Name

English

Code System Code Type Description

FDA UNII

LQ887LQ6AP

Created by admin on Sat Dec 16 19:22:24 GMT 2023 , Edited by admin on Sat Dec 16 19:22:24 GMT 2023

PRIMARY

PUBCHEM

129011667

Created by admin on Sat Dec 16 19:22:24 GMT 2023 , Edited by admin on Sat Dec 16 19:22:24 GMT 2023

PRIMARY