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-(phenylmethyl)piperazinium-1-yl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol chloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H49F2N8O4.Cl
Molecular Weight	827.361
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-(phenylmethyl)piperazinium-1-yl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol chloride

Structure Search

SMILES

[Cl-].CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CC[N+](CC4=CC=CC=C4)(CC3)C5=CC=C(OC[C@@H]6CO[C@](CN7C=NC=N7)(C6)C8=CC=C(F)C=C8F)C=C5

InChI

InChIKey=CQYJUCJVERLONS-ZXXLVDCSSA-M

InChI=1S/C44H49F2N8O4.ClH/c1-3-42(32(2)55)53-43(56)52(31-49-53)37-12-10-36(11-13-37)50-19-21-54(22-20-50,25-33-7-5-4-6-8-33)38-14-16-39(17-15-38)57-26-34-24-44(58-27-34,28-51-30-47-29-48-51)40-18-9-35(45)23-41(40)46;/h4-18,23,29-32,34,42,55H,3,19-22,24-28H2,1-2H3;1H/q+1;/p-1/t32-,34+,42-,44-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C44H49F2N8O4
Molecular Weight	791.9079
Charge	1
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 19:16:40 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:40 GMT 2025`
Record UNII	QAR39GL8KW
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-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-(phenylmethyl)piperazinium-1-yl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol chloride

Systematic Name

English

4-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)-1-benzyl-1-(4-(1-((2S,3S)-2-hydroxypentan-3-yl) chloride

Preferred 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-(phenylmethyl)piperazinium-1-yl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-, chloride

Systematic Name

English

Code System Code Type Description

FDA UNII

QAR39GL8KW

Created by admin on Wed Apr 02 19:16:40 GMT 2025 , Edited by admin on Wed Apr 02 19:16:40 GMT 2025

PRIMARY

CAS

1819334-72-9

Created by admin on Wed Apr 02 19:16:40 GMT 2025 , Edited by admin on Wed Apr 02 19:16:40 GMT 2025

PRIMARY

Related Record Type Details


					VH77K8XK98

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

PARENT -> SALT/SOLVATE

Amount: