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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H9ClF3NO2
Molecular Weight 315.675
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-CHLORO-4-(3-METHYLBUT-3-EN-1-YNYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE, (S)-

SMILES

CC(=C)C#C[C@@]1(OC(=O)NC2=CC=C(Cl)C=C12)C(F)(F)F

InChI

InChIKey=WHGASYVCIFMRON-ZDUSSCGKSA-N
InChI=1S/C14H9ClF3NO2/c1-8(2)5-6-13(14(16,17)18)10-7-9(15)3-4-11(10)19-12(20)21-13/h3-4,7H,1H2,2H3,(H,19,20)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H9ClF3NO2
Molecular Weight 315.675
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 18:45:44 UTC 2019
Edited
by admin
on Tue Oct 22 18:45:44 UTC 2019
Record UNII
F86H88Z9IG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-CHLORO-4-(3-METHYLBUT-3-EN-1-YNYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE, (S)-
Systematic Name English
EFAVIRENZ 3-METHYLBUT-3-ENE-1-YNE
Common Name English
(S)-6-CHLORO-4-(3-METHYLBUT-3-EN-1-YNYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE
Systematic Name English
EFAVIRENZ IMPURITY, EFAVIRENZ PENTENEYNE-
Common Name English
EFAVIRENZ PENTENEYNE
Common Name English
Code System Code Type Description
PUBCHEM
76969391
Created by admin on Tue Oct 22 18:45:44 UTC 2019 , Edited by admin on Tue Oct 22 18:45:44 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP