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-oxido-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42F2N8O5
Molecular Weight	716.7768
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 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-oxido-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Structure Search

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CC[N+]([O-])(CC3)C4=CC=C(OC[C@@H]5CO[C@](CN6C=NC=N6)(C5)C7=C(F)C=C(F)C=C7)C=C4

InChI

InChIKey=JYXBGYWADQYMGU-XAKZXMRKSA-N

InChI=1S/C37H42F2N8O5/c1-3-35(26(2)48)46-36(49)45(25-42-46)30-7-5-29(6-8-30)43-14-16-47(50,17-15-43)31-9-11-32(12-10-31)51-20-27-19-37(52-21-27,22-44-24-40-23-41-44)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-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H42F2N8O5
Molecular Weight	716.7768
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
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	WF4HQK42R3
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)-4-(4-(1-((2S,3S)-2-hydroxypentan-3-yl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)phenyl)piperazine 1-oxide

Preferred 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]-1-oxido-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

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]-1-oxido-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

139024935

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

CAS

1902954-05-5

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

FDA UNII

WF4HQK42R3

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