Posaconazole piperazine dioxide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42F2N8O6
Molecular Weight	732.7762
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Posaconazole piperazine dioxide

Structure Search

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)[N+]3([O-])CC[N+]([O-])(CC3)C4=CC=C(OC[C@@H]5CO[C@](CN6C=NC=N6)(C5)C7=CC=C(F)C=C7F)C=C4

InChI

InChIKey=UYZCUQUAYDZPLB-BCNCYLFMSA-N

InChI=1S/C37H42F2N8O6/c1-3-35(26(2)48)45-36(49)44(25-42-45)29-5-7-30(8-6-29)46(50)14-16-47(51,17-15-46)31-9-11-32(12-10-31)52-20-27-19-37(53-21-27,22-43-24-40-23-41-43)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-,46?,47?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H42F2N8O6
Molecular Weight	732.7762
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:38:38 GMT 2025` Edited by `admin` on `Wed Apr 02 17:38:38 GMT 2025`
Record UNII	CN4Z7W8V8G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1,4-dioxido-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Preferred Name

English

Posaconazole piperazine dioxide

Common Name

English

D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1,4-dioxido-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

139024933

Created by admin on Wed Apr 02 17:38:38 GMT 2025 , Edited by admin on Wed Apr 02 17:38:38 GMT 2025

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CAS

1902957-95-2

Created by admin on Wed Apr 02 17:38:38 GMT 2025 , Edited by admin on Wed Apr 02 17:38:38 GMT 2025

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FDA UNII

CN4Z7W8V8G

Created by admin on Wed Apr 02 17:38:38 GMT 2025 , Edited by admin on Wed Apr 02 17:38:38 GMT 2025

PRIMARY