3-Oxo-posaconazole(3-oxo-1-piperazinyl)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H40F2N8O5
Molecular Weight	714.7609
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Oxo-posaconazole(3-oxo-1-piperazinyl)

Structure Search

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3=O)C4=CC=C(OC[C@@H]5CO[C@](CN6C=NC=N6)(C5)C7=C(F)C=C(F)C=C7)C=C4

InChI

InChIKey=ZZDLBPMUUVZXAY-UZGSICAYSA-N

InChI=1S/C37H40F2N8O5/c1-3-34(25(2)48)47-36(50)46(24-42-47)30-7-5-29(6-8-30)45-15-14-43(18-35(45)49)28-9-11-31(12-10-28)51-19-26-17-37(52-20-26,21-44-23-40-22-41-44)32-13-4-27(38)16-33(32)39/h4-13,16,22-26,34,48H,3,14-15,17-21H2,1-2H3/t25-,26+,34-,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H40F2N8O5
Molecular Weight	714.7609
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 `Sat Dec 16 19:58:24 GMT 2023` Edited by `admin` on `Sat Dec 16 19:58:24 GMT 2023`
Record UNII	F6FFL3TAW2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-Oxo-posaconazole(3-oxo-1-piperazinyl)

Common Name

English

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

Systematic 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]-3-oxo-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Systematic Name

English

Posaconazole Impurity 39

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-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-3-oxo-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Systematic Name

English

Code System Code Type Description

FDA UNII

F6FFL3TAW2

Created by admin on Sat Dec 16 19:58:24 GMT 2023 , Edited by admin on Sat Dec 16 19:58:24 GMT 2023

PRIMARY

PUBCHEM

101117212

Created by admin on Sat Dec 16 19:58:24 GMT 2023 , Edited by admin on Sat Dec 16 19:58:24 GMT 2023

PRIMARY

CAS

357189-94-7

Created by admin on Sat Dec 16 19:58:24 GMT 2023 , Edited by admin on Sat Dec 16 19:58:24 GMT 2023

PRIMARY