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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14ClF2NO3
Molecular Weight 329.726
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL (4-CHLORO-2-((2S)-4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-1-YL)PHENYL)CARBAMATE

SMILES

COC(=O)NC1=CC=C(Cl)C=C1C(F)(F)[C@@H](O)C#CC2CC2

InChI

InChIKey=LQBMETXYMNJTMN-ZDUSSCGKSA-N
InChI=1S/C15H14ClF2NO3/c1-22-14(21)19-12-6-5-10(16)8-11(12)15(17,18)13(20)7-4-9-2-3-9/h5-6,8-9,13,20H,2-3H2,1H3,(H,19,21)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H14ClF2NO3
Molecular Weight 329.726
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 17:16:32 UTC 2019
Edited
by admin
on Tue Oct 22 17:16:32 UTC 2019
Record UNII
EH6323C6VM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL (4-CHLORO-2-((2S)-4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-1-YL)PHENYL)CARBAMATE
Common Name English
EFAVIRENZ IMPURITY H [WHO-IP]
Common Name English
Code System Code Type Description
PUBCHEM
121491977
Created by admin on Tue Oct 22 17:16:32 UTC 2019 , Edited by admin on Tue Oct 22 17:16:32 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> IMPURITY