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Details

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

SHOW SMILES / InChI
Structure of EFAVIRENZ PENT-3-ENE-1-YNE, (E)-

SMILES

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

InChI

InChIKey=PUGODPXGSGWWOT-IBUXWKBASA-N
InChI=1S/C14H9ClF3NO2/c1-2-3-4-7-13(14(16,17)18)10-8-9(15)5-6-11(10)19-12(20)21-13/h2-3,5-6,8H,1H3,(H,19,20)/b3-2+/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 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 18:45:43 UTC 2019
Edited
by admin
on Tue Oct 22 18:45:43 UTC 2019
Record UNII
5CO0175R5E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EFAVIRENZ PENT-3-ENE-1-YNE, (E)-
Common Name English
EFAVIRENZ PENT-3-ENE-1-YNE (TRANS) [USP]
Common Name English
(S,E)-6-CHLORO-4-(PENT-3-EN-1-YNYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE
Systematic Name English
EFAVIRENZ IMPURITY, EFAVIRENZ PENT-3-ENE-1-YNE (TRANS)-
Common Name English
Code System Code Type Description
PUBCHEM
76956329
Created by admin on Tue Oct 22 18:45:43 UTC 2019 , Edited by admin on Tue Oct 22 18:45:43 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP