Posaconazole, all-(S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42F2N8O4
Molecular Weight	700.7774
Optical Activity	( + )
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=C(F)C=C(F)C=C7)C=C4

InChI

InChIKey=RAGOYPUPXAKGKH-NTAUFNCHSA-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 `Wed Apr 02 12:22:23 GMT 2025` Edited by `admin` on `Wed Apr 02 12:22:23 GMT 2025`
Record UNII	YW6B6CX7QN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALL-(S)-(+)-POSACONAZOLE

Preferred Name

English

Posaconazole, all-(S)-

Common Name

English

4-(4-(4-(4-(((3S,5S)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-2-((2S,3S)-2-HYDROXYPENTAN-3-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Systematic Name

English

Code System Code Type Description

CAS

1246391-73-0

Created by admin on Wed Apr 02 12:22:23 GMT 2025 , Edited by admin on Wed Apr 02 12:22:23 GMT 2025

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PUBCHEM

22875881

Created by admin on Wed Apr 02 12:22:23 GMT 2025 , Edited by admin on Wed Apr 02 12:22:23 GMT 2025

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FDA UNII

YW6B6CX7QN

Created by admin on Wed Apr 02 12:22:23 GMT 2025 , Edited by admin on Wed Apr 02 12:22:23 GMT 2025

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