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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15ClF3NO3
Molecular Weight 361.743
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EFAVIRENZ AMINO ALCOHOL ETHYL CARBAMATE

SMILES

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

InChI

InChIKey=BZIKLWWRUOKZMC-HNNXBMFYSA-N
InChI=1S/C16H15ClF3NO3/c1-2-24-14(22)21-13-6-5-11(17)9-12(13)15(23,16(18,19)20)8-7-10-3-4-10/h5-6,9-10,23H,2-4H2,1H3,(H,21,22)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H15ClF3NO3
Molecular Weight 361.743
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Tue Oct 22 13:59:18 UTC 2019
Edited
by admin
on Tue Oct 22 13:59:18 UTC 2019
Record UNII
MCK9QPK7LI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EFAVIRENZ AMINO ALCOHOL ETHYL CARBAMATE
USP  
Common Name English
ETHYL 4-CHLORO-2-(4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-2-YL)PHENYLCARBAMATE, (S)-
Systematic Name English
(S)-ETHYL 4-CHLORO-2-(4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-2-YL)PHENYLCARBAMATE
Systematic Name English
EFAVIRENZ IMPURITY, EFAVIRENZ AMINO ALCOHOL ETHYL CARBAMATE-
Common Name English
EFAVIRENZ AMINO ALCOHOL ETHYL CARBAMATE [USP]
Common Name English
CARBAMIC ACID, (4-CHLORO-2-((1S)-3-CYCLOPROPYL-1-HYDROXY-1-(TRIFLUOROMETHYL)-2-PROPYNYL)PHENYL)-, ETHYL ESTER
Common Name English
ETHYL (4-CHLORO-2-((1S)-1-TRIFLUOROMETHYL-1-HYDROXY-3-CYCLOPROPYL-2-PROPYN-1-YL)PHENYL)CARBAMATE
Systematic Name English
Code System Code Type Description
CAS
211563-41-6
Created by admin on Tue Oct 22 13:59:18 UTC 2019 , Edited by admin on Tue Oct 22 13:59:18 UTC 2019
PRIMARY
EPA CompTox
211563-41-6
Created by admin on Tue Oct 22 13:59:18 UTC 2019 , Edited by admin on Tue Oct 22 13:59:18 UTC 2019
PRIMARY
PUBCHEM
71587639
Created by admin on Tue Oct 22 13:59:18 UTC 2019 , Edited by admin on Tue Oct 22 13:59:18 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP