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Details

Stereochemistry ACHIRAL
Molecular Formula C20H15BrN6O2
Molecular Weight 451.276
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOMETHYLHYDROXY ETRAVIRINE

SMILES

CC1=C(OC2=NC(NC3=CC=C(C=C3)C#N)=NC(N)=C2Br)C(CO)=CC(=C1)C#N

InChI

InChIKey=PSEOCSSSLMRMFI-UHFFFAOYSA-N
InChI=1S/C20H15BrN6O2/c1-11-6-13(9-23)7-14(10-28)17(11)29-19-16(21)18(24)26-20(27-19)25-15-4-2-12(8-22)3-5-15/h2-7,28H,10H2,1H3,(H3,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula C20H15BrN6O2
Molecular Weight 451.276
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 19:25:14 UTC 2023
Edited
by admin
on Thu Jul 06 19:25:14 UTC 2023
Record UNII
L4ZR677MYJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOMETHYLHYDROXY ETRAVIRINE
Common Name English
ETRAVIRINE METABOLITE M3
Common Name English
BENZONITRILE, 4-((6-AMINO-5-BROMO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3-(HYDROXYMETHYL)-5-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
L4ZR677MYJ
Created by admin on Thu Jul 06 19:25:14 UTC 2023 , Edited by admin on Thu Jul 06 19:25:14 UTC 2023
PRIMARY
CAS
1246815-68-8
Created by admin on Thu Jul 06 19:25:14 UTC 2023 , Edited by admin on Thu Jul 06 19:25:14 UTC 2023
PRIMARY
PUBCHEM
71750800
Created by admin on Thu Jul 06 19:25:14 UTC 2023 , Edited by admin on Thu Jul 06 19:25:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID10858135
Created by admin on Thu Jul 06 19:25:14 UTC 2023 , Edited by admin on Thu Jul 06 19:25:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
METABOLITE -> PARENT