4-(4-(3-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)imidazolidin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H40F2N8O4
Molecular Weight	686.7508
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(4-(3-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)imidazolidin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Structure Search

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(C3)C4=CC=C(OC[C@@H]5CO[C@](CN6C=NC=N6)(C5)C7=CC=C(F)C=C7F)C=C4

InChI

InChIKey=GCEOWVCWJMMIAY-YUYQYMTJSA-N

InChI=1S/C36H40F2N8O4/c1-3-34(25(2)47)46-35(48)45(23-41-46)30-7-5-28(6-8-30)42-14-15-43(24-42)29-9-11-31(12-10-29)49-18-26-17-36(50-19-26,20-44-22-39-21-40-44)32-13-4-27(37)16-33(32)38/h4-13,16,21-23,25-26,34,47H,3,14-15,17-20,24H2,1-2H3/t25-,26+,34-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H40F2N8O4
Molecular Weight	686.7508
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 `Wed Apr 02 17:10:36 GMT 2025` Edited by `admin` on `Wed Apr 02 17:10:36 GMT 2025`
Record UNII	J842NGP3D5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(4-(3-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)imidazolidin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Systematic Name

English

Posaconazole Imidazolidine Impurity

Preferred Name

English

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[3-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-imidazolidinyl]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-[3-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-imidazolidinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Systematic Name

English

Code System Code Type Description

FDA UNII

J842NGP3D5

Created by admin on Wed Apr 02 17:10:36 GMT 2025 , Edited by admin on Wed Apr 02 17:10:36 GMT 2025

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CAS

1388148-29-5

Created by admin on Wed Apr 02 17:10:36 GMT 2025 , Edited by admin on Wed Apr 02 17:10:36 GMT 2025

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PUBCHEM

131873282

Created by admin on Wed Apr 02 17:10:36 GMT 2025 , Edited by admin on Wed Apr 02 17:10:36 GMT 2025

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