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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H9ClF3NO4
Molecular Weight 347.674
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8,14-DIHYDROXYEFAVIRENZ

SMILES

OC1=C2NC(=O)O[C@@](C#CC3(O)CC3)(C2=CC(Cl)=C1)C(F)(F)F

InChI

InChIKey=WILFXLMJFSKQRP-ZDUSSCGKSA-N
InChI=1S/C14H9ClF3NO4/c15-7-5-8-10(9(20)6-7)19-11(21)23-13(8,14(16,17)18)4-3-12(22)1-2-12/h5-6,20,22H,1-2H2,(H,19,21)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H9ClF3NO4
Molecular Weight 347.674
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 18:08:45 UTC 2019
Edited
by admin
on Tue Oct 22 18:08:45 UTC 2019
Record UNII
CUY87N1BWE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8,14-DIHYDROXYEFAVIRENZ
Common Name English
2H-3,1-BENZOXAZIN-2-ONE, 6-CHLORO-1,4-DIHYDRO-8-HYDROXY-4-((1-HYDROXYCYCLOPROPYL)ETHYNYL)-4-(TRIFLUOROMETHYL)-, (4S)-
Systematic Name English
(4S)-6-CHLORO-8-HYDROXY-4-(2-(1-HYDROXYCYCLOPROPYL)ETHYNYL)-4-(TRIFLUOROMETHYL)-1H-3,1-BENZOXAZIN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
16725849
Created by admin on Tue Oct 22 18:08:45 UTC 2019 , Edited by admin on Tue Oct 22 18:08:45 UTC 2019
PRIMARY
CAS
252343-27-4
Created by admin on Tue Oct 22 18:08:45 UTC 2019 , Edited by admin on Tue Oct 22 18:08:45 UTC 2019
PRIMARY
Related Record Type Details
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