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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H11ClF3NO2
Molecular Weight 317.691
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIHYDRO EFAVIRENZ, (E)-

SMILES

FC(F)(F)[C@]1(OC(=O)NC2=CC=C(Cl)C=C12)\C=C\C3CC3

InChI

InChIKey=TWWHVRKXRMMRPN-GFUIURDCSA-N
InChI=1S/C14H11ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-8H,1-2H2,(H,19,20)/b6-5+/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H11ClF3NO2
Molecular Weight 317.691
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 18:45:42 UTC 2019
Edited
by admin
on Tue Oct 22 18:45:42 UTC 2019
Record UNII
RT81GN1Z40
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDRO EFAVIRENZ, (E)-
Common Name English
EFAVIRENZ RELATED COMPOUND B [USP-RS]
Common Name English
SR-695
Code English
EFAVIRENZ ETHENE ANALOG
Common Name English
EFAVIRENZ RELATED COMPOUND B [USP]
Common Name English
(S,E)-6-CHLORO-4-(2-CYCLOPROPYLVINYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE
Systematic Name English
2H-3,1-BENZOXAZIN-2-ONE, 6-CHLORO-4-((1E)-2-CYCLOPROPYLETHENYL)-1,4-DIHYDRO-4-(TRIFLUOROMETHYL)-, (4S)-
Systematic Name English
EFAVIRENZ IMPURITY B [WHO-IP]
Common Name English
EFAVIRENZ RELATED COMPOUND B [USP-RC]
Common Name English
EFAVIRENZ RELATED COMPOUND B
USP   USP-RC   USP-RS  
Common Name English
SR 695
Code English
Code System Code Type Description
CAS
440124-96-9
Created by admin on Tue Oct 22 18:45:42 UTC 2019 , Edited by admin on Tue Oct 22 18:45:42 UTC 2019
PRIMARY
PUBCHEM
71587736
Created by admin on Tue Oct 22 18:45:42 UTC 2019 , Edited by admin on Tue Oct 22 18:45:42 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
PARENT -> IMPURITY
In the chromatogram obtained with solution (3) the peak due to impurity B is eluted at a relative retention of about 0.9 with reference to efavirenz (retention time about 20 minutes).The test is not valid unless the resolution between the peaks due to impurity B and efavirenz is at least 3.