Deshydroxy posaconazole

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42F2N8O3
Molecular Weight	684.778
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(CC)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=OPFHZSVWSCMEPV-AYAMJOBCSA-N

InChI=1S/C37H42F2N8O3/c1-3-29(4-2)47-36(48)46(26-42-47)32-8-6-30(7-9-32)43-15-17-44(18-16-43)31-10-12-33(13-11-31)49-21-27-20-37(50-22-27,23-45-25-40-24-41-45)34-14-5-28(38)19-35(34)39/h5-14,19,24-27,29H,3-4,15-18,20-23H2,1-2H3/t27-,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H42F2N8O3
Molecular Weight	684.778
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 10:10:02 GMT 2025` Edited by `admin` on `Wed Apr 02 10:10:02 GMT 2025`
Record UNII	ZVW2AK6BVY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCH-51048

Preferred Name

English

Deshydroxy posaconazole

Common Name

English

D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-(1-ethylpropyl)-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

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

ZVW2AK6BVY

Created by admin on Wed Apr 02 10:10:02 GMT 2025 , Edited by admin on Wed Apr 02 10:10:02 GMT 2025

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CAS

161532-65-6

Created by admin on Wed Apr 02 10:10:02 GMT 2025 , Edited by admin on Wed Apr 02 10:10:02 GMT 2025

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PUBCHEM

181442

Created by admin on Wed Apr 02 10:10:02 GMT 2025 , Edited by admin on Wed Apr 02 10:10:02 GMT 2025

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EPA CompTox

DTXSID10936543

Created by admin on Wed Apr 02 10:10:02 GMT 2025 , Edited by admin on Wed Apr 02 10:10:02 GMT 2025

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