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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22ClN5O5
Molecular Weight 423.851
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((5-CARBAMOYL-4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)PYRIMIDIN-2-YL)AMINO)-5-HYDROXY-PENTANOIC ACID

SMILES

COC1=CC=C(CNC2=C(C=NC(N[C@H](CO)CCC(O)=O)=N2)C(N)=O)C=C1Cl

InChI

InChIKey=SGLHMHIKJHMKSE-NSHDSACASA-N
InChI=1S/C18H22ClN5O5/c1-29-14-4-2-10(6-13(14)19)7-21-17-12(16(20)28)8-22-18(24-17)23-11(9-25)3-5-15(26)27/h2,4,6,8,11,25H,3,5,7,9H2,1H3,(H2,20,28)(H,26,27)(H2,21,22,23,24)/t11-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-((5-CARBAMOYL-4-((3-CHLORO-4-METHOXY-PHENYL)METHYLAMINO)PYRIMIDIN-2-YL)AMINO)-5-HYDROXY-PENTANOIC ACID
Systematic Name English
AVANAFIL METABOLITE M31
Common Name English
Code System Code Type Description
PUBCHEM
156596595
Created by admin on Sat Dec 16 10:07:40 GMT 2023 , Edited by admin on Sat Dec 16 10:07:40 GMT 2023
PRIMARY
FDA UNII
EF7YX9V2VW
Created by admin on Sat Dec 16 10:07:40 GMT 2023 , Edited by admin on Sat Dec 16 10:07:40 GMT 2023
PRIMARY