4-[[4-[4-(4-Aminophenyl)-1-piperazinyl]phenoxy]methyl]-2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H32F2N6O2
Molecular Weight	546.6109
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[[4-[4-(4-Aminophenyl)-1-piperazinyl]phenoxy]methyl]-2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Structure Search

SMILES

NC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(OC[C@@H]4CO[C@](CN5C=NC=N5)(C4)C6=CC=C(F)C=C6F)C=C3

InChI

InChIKey=BKLNBLKPZPFLRD-RCRUUEGKSA-N

InChI=1S/C30H32F2N6O2/c31-23-1-10-28(29(32)15-23)30(19-38-21-34-20-35-38)16-22(18-40-30)17-39-27-8-6-26(7-9-27)37-13-11-36(12-14-37)25-4-2-24(33)3-5-25/h1-10,15,20-22H,11-14,16-19,33H2/t22-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H32F2N6O2
Molecular Weight	546.6109
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 19:08:09 GMT 2025` Edited by `admin` on `Wed Apr 02 19:08:09 GMT 2025`
Record UNII	ZA7SUE94MF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[[4-[4-(4-Aminophenyl)-1-piperazinyl]phenoxy]methyl]-2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Systematic Name

English

D-threo-Pentitol, 4-[[4-[4-(4-aminophenyl)-1-piperazinyl]phenoxy]methyl]-2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

54673886

Created by admin on Wed Apr 02 19:08:09 GMT 2025 , Edited by admin on Wed Apr 02 19:08:09 GMT 2025

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FDA UNII

ZA7SUE94MF

Created by admin on Wed Apr 02 19:08:09 GMT 2025 , Edited by admin on Wed Apr 02 19:08:09 GMT 2025

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CAS

184378-04-9

Created by admin on Wed Apr 02 19:08:09 GMT 2025 , Edited by admin on Wed Apr 02 19:08:09 GMT 2025

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