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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H9F5N2O
Molecular Weight 316.2261
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DPC-963

SMILES

FC1=CC=C2NC(=O)N[C@@](C#CC3CC3)(C2=C1F)C(F)(F)F

InChI

InChIKey=QCNJQJJFXFJVCX-ZDUSSCGKSA-N
InChI=1S/C14H9F5N2O/c15-8-3-4-9-10(11(8)16)13(14(17,18)19,21-12(22)20-9)6-5-7-1-2-7/h3-4,7H,1-2H2,(H2,20,21,22)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H9F5N2O
Molecular Weight 316.2261
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Delineating novel metabolic pathways of DPC 963, a non-nucleoside reverse transcriptase inhibitor, in rats. Characterization of glutathione conjugates of postulated oxirene and benzoquinone imine intermediates by LC/MS and LC/NMR.
2002 Mar
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:24:58 GMT 2025
Edited
by admin
on Mon Mar 31 23:24:58 GMT 2025
Record UNII
XEW2AAG1IS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DPC-963
Code English
DMP-963
Preferred Name English
2(1H)-QUINAZOLINONE, 4-(CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-3,4-DIHYDRO-4-(TRIFLUOROMETHYL)-, (4S)-
Systematic Name English
(4S)-4-(2-CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-4-(TRIFLUOROMETHYL)-1,3-DIHYDROQUINAZOLIN-2-ONE
Systematic Name English
(S)-5,6-DIFLUORO-4-(CYCLOPROPYLETHYNYL)-4-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2(1H)-QUINAZOLINONE
Systematic Name English
DPC 963
Code English
Code System Code Type Description
PUBCHEM
474121
Created by admin on Mon Mar 31 23:24:58 GMT 2025 , Edited by admin on Mon Mar 31 23:24:58 GMT 2025
PRIMARY
CAS
214287-90-8
Created by admin on Mon Mar 31 23:24:58 GMT 2025 , Edited by admin on Mon Mar 31 23:24:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID80175700
Created by admin on Mon Mar 31 23:24:58 GMT 2025 , Edited by admin on Mon Mar 31 23:24:58 GMT 2025
PRIMARY
FDA UNII
XEW2AAG1IS
Created by admin on Mon Mar 31 23:24:58 GMT 2025 , Edited by admin on Mon Mar 31 23:24:58 GMT 2025
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY