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

Details

Stereochemistry RACEMIC
Molecular Formula C19H22N2O3
Molecular Weight 326.3896
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXY-5-(2-(((1RS)-1-METHYL-3-PHENYLPROPYL)AMINO)ACETYL)BENZAMIDE

SMILES

CC(CCC1=CC=CC=C1)NCC(=O)C2=CC=C(O)C(=C2)C(N)=O

InChI

InChIKey=BHKMAOIKHVZJCC-UHFFFAOYSA-N
InChI=1S/C19H22N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24)

HIDE SMILES / InChI

Molecular Formula C19H22N2O3
Molecular Weight 326.3896
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:42:23 GMT 2023
Edited
by admin
on Sat Dec 16 14:42:23 GMT 2023
Record UNII
5DYB3WH88N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXY-5-(2-(((1RS)-1-METHYL-3-PHENYLPROPYL)AMINO)ACETYL)BENZAMIDE
Systematic Name English
LABETALOL HYDROCHLORIDE IMPURITY F [EP IMPURITY]
Common Name English
BENZAMIDE, 2-HYDROXY-5-(2-((1-METHYL-3-PHENYLPROPYL)AMINO)ACETYL)-
Systematic Name English
2-HYDROXY-5-(2-((1-METHYL-3-PHENYLPROPYL)AMINO)ACETYL)BENZAMIDE
Systematic Name English
Code System Code Type Description
CAS
85665-85-6
Created by admin on Sat Dec 16 14:42:24 GMT 2023 , Edited by admin on Sat Dec 16 14:42:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID10100626
Created by admin on Sat Dec 16 14:42:24 GMT 2023 , Edited by admin on Sat Dec 16 14:42:24 GMT 2023
PRIMARY
PUBCHEM
3020893
Created by admin on Sat Dec 16 14:42:24 GMT 2023 , Edited by admin on Sat Dec 16 14:42:24 GMT 2023
PRIMARY
FDA UNII
5DYB3WH88N
Created by admin on Sat Dec 16 14:42:24 GMT 2023 , Edited by admin on Sat Dec 16 14:42:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
288-177-2
Created by admin on Sat Dec 16 14:42:24 GMT 2023 , Edited by admin on Sat Dec 16 14:42:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP