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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 MONOHYDROXY ETRAVIRINE

SMILES

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

InChI

InChIKey=PUWZLFFACARILR-UHFFFAOYSA-N
InChI=1S/C20H15BrN6O2/c1-10-7-13(9-23)16(28)11(2)17(10)29-19-15(21)18(24)26-20(27-19)25-14-5-3-12(8-22)4-6-14/h3-7,28H,1-2H3,(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 19:34:14 UTC 2023
Edited
by admin
on Thu Jul 06 19:34:14 UTC 2023
Record UNII
JP3N25ZB3I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOHYDROXY ETRAVIRINE
Common Name English
4-((6-AMINO-5-BROMO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-2-HYDROXY-3,5-DIMETHYL-BENZONITRILE
Systematic Name English
ETRAVIRINE METABOLITE M1
Common Name English
Code System Code Type Description
PUBCHEM
135390905
Created by admin on Thu Jul 06 19:34:14 UTC 2023 , Edited by admin on Thu Jul 06 19:34:14 UTC 2023
PRIMARY
FDA UNII
JP3N25ZB3I
Created by admin on Thu Jul 06 19:34:14 UTC 2023 , Edited by admin on Thu Jul 06 19:34:14 UTC 2023
PRIMARY
Related Record Type Details
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