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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

Molecular Formula C20H15BrN6O3
Molecular Weight 467.275
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:20:23 UTC 2023
Edited
by admin
on Thu Jul 06 20:20:23 UTC 2023
Record UNII
B4JRR5Z56V
Record Status Validated (UNII)
Record Version
  • Download
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 Thu Jul 06 20:20:24 UTC 2023 , Edited by admin on Thu Jul 06 20:20:24 UTC 2023
PRIMARY
FDA UNII
B4JRR5Z56V
Created by admin on Thu Jul 06 20:20:24 UTC 2023 , Edited by admin on Thu Jul 06 20:20:24 UTC 2023
PRIMARY
CAS
1246818-67-6
Created by admin on Thu Jul 06 20:20:24 UTC 2023 , Edited by admin on Thu Jul 06 20:20:24 UTC 2023
PRIMARY
PUBCHEM
71316232
Created by admin on Thu Jul 06 20:20:24 UTC 2023 , Edited by admin on Thu Jul 06 20:20:24 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE -> PARENT
PARENT -> METABOLITE