Voriconazole, (R,R)-rel-

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H14F3N5O
Molecular Weight	349.3105
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](C1=NC=NC=C1F)[C@](O)(CN2C=NC=N2)C3=CC=C(F)C=C3F

InChI

InChIKey=BCEHBSKCWLPMDN-QLJPJBMISA-N

InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H14F3N5O
Molecular Weight	349.3105
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 17:51:07 GMT 2025` Edited by `admin` on `Wed Apr 02 17:51:07 GMT 2025`
Record UNII	2XJK4399NE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Voriconazole, (R,R)-rel-

Common Name

English

rel-(R,R)-Voriconazole

Preferred Name

English

rel-(2R,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

Systematic Name

English

4-Pyrimidineethanol, ?-(2,4-difluorophenyl)-5-fluoro-?-methyl-?-(1H-1,2,4-triazol-1-ylmethyl)-, (R*,R*)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40654662

Created by admin on Wed Apr 02 17:51:07 GMT 2025 , Edited by admin on Wed Apr 02 17:51:07 GMT 2025

PRIMARY

CAS

137330-52-0

Created by admin on Wed Apr 02 17:51:07 GMT 2025 , Edited by admin on Wed Apr 02 17:51:07 GMT 2025

PRIMARY

FDA UNII

2XJK4399NE

Created by admin on Wed Apr 02 17:51:07 GMT 2025 , Edited by admin on Wed Apr 02 17:51:07 GMT 2025

PRIMARY

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