Deshydroxypentanyl Posaconazole

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H32F2N8O3
Molecular Weight	614.6451
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Deshydroxypentanyl Posaconazole

Structure Search

SMILES

FC1=CC=C(C(F)=C1)[C@@]3(CN2C=NC=N2)C[C@H](COC4=CC=C(C=C4)N5CCN(CC5)C6=CC=C(C=C6)N7C=NNC7=O)CO3

InChI

InChIKey=BODQCIJGJACIKO-HEIROHQZSA-N

InChI=1S/C32H32F2N8O3/c33-24-1-10-29(30(34)15-24)32(19-41-21-35-20-37-41)16-23(18-45-32)17-44-28-8-6-26(7-9-28)40-13-11-39(12-14-40)25-2-4-27(5-3-25)42-22-36-38-31(42)43/h1-10,15,20-23H,11-14,16-19H2,(H,38,43)/t23-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H32F2N8O3
Molecular Weight	614.6451
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:09:04 GMT 2025` Edited by `admin` on `Wed Apr 02 17:09:04 GMT 2025`
Record UNII	TW5V2W64NK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Deshydroxypentanyl Posaconazole

Common Name

English

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-(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-(1,5-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

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90704868

Created by admin on Wed Apr 02 17:09:04 GMT 2025 , Edited by admin on Wed Apr 02 17:09:04 GMT 2025

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PUBCHEM

53486193

Created by admin on Wed Apr 02 17:09:04 GMT 2025 , Edited by admin on Wed Apr 02 17:09:04 GMT 2025

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FDA UNII

TW5V2W64NK

Created by admin on Wed Apr 02 17:09:04 GMT 2025 , Edited by admin on Wed Apr 02 17:09:04 GMT 2025

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CAS

161532-56-5

Created by admin on Wed Apr 02 17:09:04 GMT 2025 , Edited by admin on Wed Apr 02 17:09:04 GMT 2025

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