U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N4O3
Molecular Weight 324.3339
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UK-533,713

SMILES

CCC1=NN(CC(O)=O)C(CC)=C1OC2=CC(=CC(=C2)C#N)C#N

InChI

InChIKey=KIXCBXUICYQYEZ-UHFFFAOYSA-N
InChI=1S/C17H16N4O3/c1-3-14-17(15(4-2)21(20-14)10-16(22)23)24-13-6-11(8-18)5-12(7-13)9-19/h5-7H,3-4,10H2,1-2H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C17H16N4O3
Molecular Weight 324.3339
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:34:53 UTC 2023
Edited
by admin
on Sat Dec 16 16:34:53 UTC 2023
Record UNII
WM5N3R478N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UK-533,713
Code English
1H-PYRAZOLE-1-ACETIC ACID, 4-(3,5-DICYANOPHENOXY)-3,5-DIETHYL-
Systematic Name English
LERSIVIRINE METABOLITE M19
Common Name English
4-(3,5-DICYANOPHENOXY)-3,5-DIETHYL-1H-PYRAZOLE-1-ACETIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
69361841
Created by admin on Sat Dec 16 16:34:53 UTC 2023 , Edited by admin on Sat Dec 16 16:34:53 UTC 2023
PRIMARY
CAS
1632469-40-9
Created by admin on Sat Dec 16 16:34:53 UTC 2023 , Edited by admin on Sat Dec 16 16:34:53 UTC 2023
PRIMARY
FDA UNII
WM5N3R478N
Created by admin on Sat Dec 16 16:34:53 UTC 2023 , Edited by admin on Sat Dec 16 16:34:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
PLASMA