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

Details

Stereochemistry RACEMIC
Molecular Formula C19H20N2O2
Molecular Weight 308.3743
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DA-8031 METABOLITE M5

SMILES

CNCCCC1(OCC2=CC(=CC=C12)C#N)C3=CC=C(O)C=C3

InChI

InChIKey=FIDSWIJBMYYMCP-UHFFFAOYSA-N
InChI=1S/C19H20N2O2/c1-21-10-2-9-19(16-4-6-17(22)7-5-16)18-8-3-14(12-20)11-15(18)13-23-19/h3-8,11,21-22H,2,9-10,13H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
DA-8031 METABOLITE M5
Code English
5-ISOBENZOFURANCARBONITRILE, 1-(3-(METHYLAMINO)PROPYL)-1,3-DIHYDRO-1-(4-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
Q6AM3T2VK5
Created by admin on Sat Dec 16 18:11:40 GMT 2023 , Edited by admin on Sat Dec 16 18:11:40 GMT 2023
PRIMARY
PUBCHEM
166451391
Created by admin on Sat Dec 16 18:11:40 GMT 2023 , Edited by admin on Sat Dec 16 18:11:40 GMT 2023
PRIMARY