Posaconazole Formate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H42F2N8O5
Molecular Weight	728.7875
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)OC=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=ZYFVMSRYYCTQCX-XQPVTFFNSA-N

InChI=1S/C38H42F2N8O5/c1-3-36(27(2)52-26-49)48-37(50)47(25-43-48)32-7-5-30(6-8-32)44-14-16-45(17-15-44)31-9-11-33(12-10-31)51-20-28-19-38(53-21-28,22-46-24-41-23-42-46)34-13-4-29(39)18-35(34)40/h4-13,18,23-28,36H,3,14-17,19-22H2,1-2H3/t27-,28+,36-,38-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H42F2N8O5
Molecular Weight	728.7875
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 19:47:24 GMT 2025` Edited by `admin` on `Wed Apr 02 19:47:24 GMT 2025`
Record UNII	B4QT5FDD5D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Posaconazole Formate

Common Name

English

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

Preferred 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-(formyloxy)propyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Systematic Name

English

Code System Code Type Description

CAS

2069239-68-3

Created by admin on Wed Apr 02 19:47:24 GMT 2025 , Edited by admin on Wed Apr 02 19:47:24 GMT 2025

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FDA UNII

B4QT5FDD5D

Created by admin on Wed Apr 02 19:47:24 GMT 2025 , Edited by admin on Wed Apr 02 19:47:24 GMT 2025

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PUBCHEM

171379155

Created by admin on Wed Apr 02 19:47:24 GMT 2025 , Edited by admin on Wed Apr 02 19:47:24 GMT 2025

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