U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H15BrN6O3
Molecular Weight 467.275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYLHYDROXY ETRAVIRINE

SMILES

NC1=C(Br)C(OC2=C(CO)C=C(C=C2CO)C#N)=NC(NC3=CC=C(C=C3)C#N)=N1

InChI

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)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
DIMETHYLHYDROXY ETRAVIRINE
Common Name English
ETRAVIRINE METABOLITE M4
Common 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 Sat Dec 16 14:46:47 GMT 2023 , Edited by admin on Sat Dec 16 14:46:47 GMT 2023
PRIMARY
FDA UNII
B4JRR5Z56V
Created by admin on Sat Dec 16 14:46:47 GMT 2023 , Edited by admin on Sat Dec 16 14:46:47 GMT 2023
PRIMARY
CAS
1246818-67-6
Created by admin on Sat Dec 16 14:46:47 GMT 2023 , Edited by admin on Sat Dec 16 14:46:47 GMT 2023
PRIMARY
PUBCHEM
71316232
Created by admin on Sat Dec 16 14:46:47 GMT 2023 , Edited by admin on Sat Dec 16 14:46:47 GMT 2023
PRIMARY
METABOLITE (PARENT)
Structure of ETRAVIRINE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966