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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H11ClF3NO
Molecular Weight 289.681
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EFAVIRENZ AMINOALCOHOL

SMILES

NC1=CC=C(Cl)C=C1[C@@](O)(C#CC2CC2)C(F)(F)F

InChI

InChIKey=KEMUGFRERPPUHB-LBPRGKRZSA-N
InChI=1S/C13H11ClF3NO/c14-9-3-4-11(18)10(7-9)12(19,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,19H,1-2,18H2/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H11ClF3NO
Molecular Weight 289.681
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 14:59:39 UTC 2019
Edited
by admin
on Tue Oct 22 14:59:39 UTC 2019
Record UNII
Z3E01963ZY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EFAVIRENZ AMINOALCOHOL
USP  
Common Name English
EFAVIRENZ AMINOALCOHOL [USP]
Common Name English
(-)-EFAVIRENZ AMINOALCOHOL
Common Name English
EFAVIRENZ RELATED COMPOUND A
USP-RS  
Common Name English
EFAVIRENZ IMPURITY E
Common Name English
(S)-2-(2-AMINO-5-CHLOROPHENYL)-4-CYCLOPROPYL-1,1,1-TRIFLUORO-3-BUTYN-2-OL
Systematic Name English
(.ALPHA.S)-2-AMINO-5-CHLORO-.ALPHA.-(CYCLOPROPYLETHYNYL)-.ALPHA.-(TRIFLUOROMETHYL)BENZENEMETHANOL
Common Name English
EFAVIRENZ IMPURITY, EFAVIRENZ AMINOALCOHOLA-
Common Name English
BENZENEMETHANOL, 2-AMINO-5-CHLORO-.ALPHA.-(2-CYCLOPROPYLETHYNYL)-.ALPHA.-(TRIFLUOROMETHYL)-, (.ALPHA.S)-
Common Name English
SD-573
Code English
(S)-2-(2-AMINO-5-CHLOROPHENYL)-4-CYCLOPROPYL-1,1,1-TRIFLUOROBUT-3-YN-2-OL
Systematic Name English
(S)-1-(2-AMINO-5-CHLOROPHENYL)-1-(TRIFLUOROMETHYL)-3-CYCLOPROPYL-2-PROPYN-1-OL
Systematic Name English
EFAVIRENZ RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
CAS
209414-27-7
Created by admin on Tue Oct 22 14:59:39 UTC 2019 , Edited by admin on Tue Oct 22 14:59:39 UTC 2019
PRIMARY
PUBCHEM
11033574
Created by admin on Tue Oct 22 14:59:39 UTC 2019 , Edited by admin on Tue Oct 22 14:59:39 UTC 2019
PRIMARY
EPA CompTox
209414-27-7
Created by admin on Tue Oct 22 14:59:39 UTC 2019 , Edited by admin on Tue Oct 22 14:59:39 UTC 2019
PRIMARY
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