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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H9F5N2O2
Molecular Weight 332.2255
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-3,4-DIHYDRO-8-HYDROXY-4-(TRIFLUOROMETHYL)-2(1H)-QUINAZOLINONE, (4S)-

SMILES

OC1=C2NC(=O)N[C@@](C#CC3CC3)(C2=C(F)C(F)=C1)C(F)(F)F

InChI

InChIKey=TYTQGGLIEHODEA-ZDUSSCGKSA-N
InChI=1S/C14H9F5N2O2/c15-7-5-8(22)11-9(10(7)16)13(14(17,18)19,21-12(23)20-11)4-3-6-1-2-6/h5-6,22H,1-2H2,(H2,20,21,23)/t13-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-(2-CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-3,4-DIHYDRO-8-HYDROXY-4-(TRIFLUOROMETHYL)-2(1H)-QUINAZOLINONE, (4S)-
Systematic Name English
DPC-963 METABOLITE M8
Common Name English
2(1H)-QUINAZOLINONE, 4-(2-CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-3,4-DIHYDRO-8-HYDROXY-4-(TRIFLUOROMETHYL)-, (4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
154824290
Created by admin on Sat Dec 16 16:54:39 GMT 2023 , Edited by admin on Sat Dec 16 16:54:39 GMT 2023
PRIMARY
CAS
540738-22-5
Created by admin on Sat Dec 16 16:54:39 GMT 2023 , Edited by admin on Sat Dec 16 16:54:39 GMT 2023
PRIMARY
FDA UNII
S6K9V6UAA6
Created by admin on Sat Dec 16 16:54:39 GMT 2023 , Edited by admin on Sat Dec 16 16:54:39 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of DPC-963
NIH
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