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Details

Stereochemistry RACEMIC
Molecular Formula C14H9ClF3NO3
Molecular Weight 331.674
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of rac 8-Hydroxy Efavirenz

SMILES

OC1=CC(Cl)=CC2=C1NC(=O)OC2(C#CC3CC3)C(F)(F)F

InChI

InChIKey=OOVOMPCQLMFEDT-UHFFFAOYSA-N
InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)

HIDE SMILES / InChI

Molecular Formula C14H9ClF3NO3
Molecular Weight 331.674
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:27:10 GMT 2025
Edited
by admin
on Wed Apr 02 17:27:10 GMT 2025
Record UNII
B382S6VSZ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
rac 8-Hydroxy Efavirenz
Common Name English
2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-
Preferred Name English
6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
Systematic Name English
2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9840539
Created by admin on Wed Apr 02 17:27:10 GMT 2025 , Edited by admin on Wed Apr 02 17:27:10 GMT 2025
PRIMARY
FDA UNII
B382S6VSZ8
Created by admin on Wed Apr 02 17:27:10 GMT 2025 , Edited by admin on Wed Apr 02 17:27:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID201043213
Created by admin on Wed Apr 02 17:27:10 GMT 2025 , Edited by admin on Wed Apr 02 17:27:10 GMT 2025
PRIMARY
CAS
205754-32-1
Created by admin on Wed Apr 02 17:27:10 GMT 2025 , Edited by admin on Wed Apr 02 17:27:10 GMT 2025
PRIMARY