DIMETHYLHYDROXY ETRAVIRINE

NC1=NC(NC2=CC=C(C=C2)C#N)=NC(OC3=C(CO)C=C(C=C3CO)C#N)=C1Br

InChIKey=NMILEPRAYYVRFB-UHFFFAOYSA-N

InChI=1S/C20H15BrN6O3/c21-16-18(24)26-20(25-15-3-1-11(7-22)2-4-15)27-19(16)30-17-13(9-28)5-12(8-23)6-14(17)10-29/h1-6,28-29H,9-10H2,(H3,24,25,26,27)

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

Substance Class	Chemical Created by `admin` on `Wed Apr 02 01:09:36 GMT 2025` Edited by `admin` on `Wed Apr 02 01:09:36 GMT 2025`
Record UNII	B4JRR5Z56V
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

DIMETHYLHYDROXY ETRAVIRINE

Common Name

English

ETRAVIRINE METABOLITE M4

Preferred Name

English

BENZONITRILE, 4-((6-AMINO-5-BROMO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3,5-BIS(HYDROXYMETHYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80747668

Created by admin on Wed Apr 02 01:09:36 GMT 2025 , Edited by admin on Wed Apr 02 01:09:36 GMT 2025

PRIMARY

FDA UNII

B4JRR5Z56V

Created by admin on Wed Apr 02 01:09:36 GMT 2025 , Edited by admin on Wed Apr 02 01:09:36 GMT 2025

PRIMARY

CAS

1246818-67-6

Created by admin on Wed Apr 02 01:09:36 GMT 2025 , Edited by admin on Wed Apr 02 01:09:36 GMT 2025

PRIMARY

PUBCHEM

71316232

Created by admin on Wed Apr 02 01:09:36 GMT 2025 , Edited by admin on Wed Apr 02 01:09:36 GMT 2025

PRIMARY

Related Record Type Details


					0C50HW4FO1

METABOLITE -> PARENT