2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[(phenoxycarbonyl)amino]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H36F2N6O4
Molecular Weight	666.7163
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
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-[(phenoxycarbonyl)amino]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Structure Search

SMILES

FC1=CC(F)=C(C=C1)[C@@]3(CN2C=NC=N2)C[C@H](COC4=CC=C(C=C4)N5CCN(CC5)C6=CC=C(NC(=O)OC7=CC=CC=C7)C=C6)CO3

InChI

InChIKey=ZNIXQDWBCJAWHX-AYAMJOBCSA-N

InChI=1S/C37H36F2N6O4/c38-28-6-15-34(35(39)20-28)37(24-45-26-40-25-41-45)21-27(23-48-37)22-47-32-13-11-31(12-14-32)44-18-16-43(17-19-44)30-9-7-29(8-10-30)42-36(46)49-33-4-2-1-3-5-33/h1-15,20,25-27H,16-19,21-24H2,(H,42,46)/t27-,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H36F2N6O4
Molecular Weight	666.7163
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 21:02:43 GMT 2025` Edited by `admin` on `Wed Apr 02 21:02:43 GMT 2025`
Record UNII	VC99PC96FK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[(phenoxycarbonyl)amino]phenyl]-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-[(phenoxycarbonyl)amino]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Preferred Name

English

Code System Code Type Description

CAS

161532-54-3

Created by admin on Wed Apr 02 21:02:43 GMT 2025 , Edited by admin on Wed Apr 02 21:02:43 GMT 2025

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PUBCHEM

10985234

Created by admin on Wed Apr 02 21:02:43 GMT 2025 , Edited by admin on Wed Apr 02 21:02:43 GMT 2025

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FDA UNII

VC99PC96FK

Created by admin on Wed Apr 02 21:02:43 GMT 2025 , Edited by admin on Wed Apr 02 21:02:43 GMT 2025

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