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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H25NO3
Molecular Weight 327.4174
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BENZYLALBUTERONE

SMILES

CC(C)(C)N(CC(=O)C1=CC=C(O)C(CO)=C1)CC2=CC=CC=C2

InChI

InChIKey=OCLIQASIQHOWRE-UHFFFAOYSA-N
InChI=1S/C20H25NO3/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22/h4-11,22-23H,12-14H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C20H25NO3
Molecular Weight 327.4174
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:08:09 UTC 2023
Edited
by admin
on Sat Dec 16 06:08:09 UTC 2023
Record UNII
B2X63QT035
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BENZYLALBUTERONE
Common Name English
2-((1,1-DIMETHYLETHYL)(PHENYLMETHYL)AMINO)-1-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)ETHANONE
Systematic Name English
ETHANONE, 2-((1,1-DIMETHYLETHYL)(PHENYLMETHYL)AMINO)-1-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)-
Systematic Name English
BENZYLALBUTERONE
Common Name English
SALBUTAMOL IMPURITY G [EP IMPURITY]
Common Name English
2-(BENZYL(1,1-DIMETHYLETHYL)AMINO)-1-(4-HYDROXY-3-(HYDROXYMETHYL)PHENYL)ETHANONE
Systematic Name English
N-BENZYLSALBUTAMON
Common Name English
SALBUTAMOL SULFATE IMPURITY G [EP IMPURITY]
Common Name English
BENZYLSALBUTAMON
Common Name English
Code System Code Type Description
FDA UNII
B2X63QT035
Created by admin on Sat Dec 16 06:08:09 UTC 2023 , Edited by admin on Sat Dec 16 06:08:09 UTC 2023
PRIMARY
CAS
64092-10-0
Created by admin on Sat Dec 16 06:08:09 UTC 2023 , Edited by admin on Sat Dec 16 06:08:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID40214280
Created by admin on Sat Dec 16 06:08:09 UTC 2023 , Edited by admin on Sat Dec 16 06:08:09 UTC 2023
PRIMARY
PUBCHEM
152358
Created by admin on Sat Dec 16 06:08:09 UTC 2023 , Edited by admin on Sat Dec 16 06:08:09 UTC 2023
PRIMARY
Related Record Type Details
Structure of 1-(4'-HYDROXY-3'-HYDROXYMETHYL)-2-(BENZYL-TERT-BUTYLAMINO)ETHANONE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of ALBUTEROL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966