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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21FN4O4
Molecular Weight 376.3821
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (R)-2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-4-fluorobenzoic acid

SMILES

CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC3=CC(F)=CC=C3C(O)=O)C1=O

InChI

InChIKey=WFXLOVPODAMALO-CYBMUJFWSA-N
InChI=1S/C18H21FN4O4/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(18(21)27)9-11-7-12(19)4-5-14(11)17(25)26/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3,(H,25,26)/t13-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(R)-2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-4-fluorobenzoic acid
Systematic Name English
2-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluorobenzoic acid
Preferred Name English
Benzoic acid, 2-[[6-[(3R)-3-amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluoro-
Systematic Name English
Code System Code Type Description
CAS
1917324-15-2
Created by admin on Wed Apr 02 19:16:37 GMT 2025 , Edited by admin on Wed Apr 02 19:16:37 GMT 2025
PRIMARY
PUBCHEM
163202780
Created by admin on Wed Apr 02 19:16:37 GMT 2025 , Edited by admin on Wed Apr 02 19:16:37 GMT 2025
PRIMARY
FDA UNII
P9UPS2EZG4
Created by admin on Wed Apr 02 19:16:37 GMT 2025 , Edited by admin on Wed Apr 02 19:16:37 GMT 2025
PRIMARY