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

Details

Stereochemistry RACEMIC
Molecular Formula C15H24N2O3
Molecular Weight 280.3627
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[5-Amino-2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

SMILES

CC(=O)C1=C(OCC(O)CNC(C)(C)C)C=CC(N)=C1

InChI

InChIKey=NDSFAFIRRXLJNE-UHFFFAOYSA-N
InChI=1S/C15H24N2O3/c1-10(18)13-7-11(16)5-6-14(13)20-9-12(19)8-17-15(2,3)4/h5-7,12,17,19H,8-9,16H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H24N2O3
Molecular Weight 280.3627
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 Mon Mar 31 22:07:42 GMT 2025
Edited
by admin
on Mon Mar 31 22:07:42 GMT 2025
Record UNII
N2X42C8PCD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[5-Amino-2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
Systematic Name English
N-112
Preferred Name English
Ethanone, 1-[5-amino-2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-
Systematic Name English
N112
Code English
5-Amino-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone
Systematic Name English
Celiprolol hydrochloride impurity A [EP IMPURITY]
Common Name English
3-Acetyl-4-[3-(1,1-Dimethylethylamino)-2-Hydroxy-propoxy]aniline
Systematic Name English
1-[5-Amino-2-[(2RS)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethan-1-one
Systematic Name English
Code System Code Type Description
CAS
56980-94-0
Created by admin on Mon Mar 31 22:07:42 GMT 2025 , Edited by admin on Mon Mar 31 22:07:42 GMT 2025
PRIMARY
FDA UNII
N2X42C8PCD
Created by admin on Mon Mar 31 22:07:42 GMT 2025 , Edited by admin on Mon Mar 31 22:07:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID50972460
Created by admin on Mon Mar 31 22:07:42 GMT 2025 , Edited by admin on Mon Mar 31 22:07:42 GMT 2025
PRIMARY
PUBCHEM
148785
Created by admin on Mon Mar 31 22:07:42 GMT 2025 , Edited by admin on Mon Mar 31 22:07:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY