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

Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO3
Molecular Weight 223.2683
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BK-MBDB-M2

SMILES

CCC(NC)C(=O)C1=CC=C(OC)C(O)=C1

InChI

InChIKey=GHPNQBGRHZBHDG-UHFFFAOYSA-N
InChI=1S/C12H17NO3/c1-4-9(13-2)12(15)8-5-6-11(16-3)10(14)7-8/h5-7,9,13-14H,4H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
BK-MBDB-M2
Common Name English
2-METHYLAMINO-1-(3-HYDROXY-4-METHOXY-PHENYL)BUTAN-1-ONE
Systematic Name English
1-BUTANONE, 1-(3-HYDROXY-4-METHOXYPHENYL)-2-(METHYLAMINO)-
Systematic Name English
Code System Code Type Description
CAS
1213250-95-3
Created by admin on Sat Dec 16 10:12:48 GMT 2023 , Edited by admin on Sat Dec 16 10:12:48 GMT 2023
PRIMARY
PUBCHEM
129844538
Created by admin on Sat Dec 16 10:12:48 GMT 2023 , Edited by admin on Sat Dec 16 10:12:48 GMT 2023
PRIMARY
FDA UNII
P4HQL8G2S3
Created by admin on Sat Dec 16 10:12:48 GMT 2023 , Edited by admin on Sat Dec 16 10:12:48 GMT 2023
PRIMARY