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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(CO)=C(O)C=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
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:35:42 GMT 2025
Edited
by admin
on Mon Mar 31 21:35:42 GMT 2025
Record UNII
B2X63QT035
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BENZYLALBUTERONE
Common Name English
BENZYLALBUTERONE
Preferred 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
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 Mon Mar 31 21:35:42 GMT 2025 , Edited by admin on Mon Mar 31 21:35:42 GMT 2025
PRIMARY
CAS
64092-10-0
Created by admin on Mon Mar 31 21:35:42 GMT 2025 , Edited by admin on Mon Mar 31 21:35:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID40214280
Created by admin on Mon Mar 31 21:35:42 GMT 2025 , Edited by admin on Mon Mar 31 21:35:42 GMT 2025
PRIMARY
PUBCHEM
152358
Created by admin on Mon Mar 31 21:35:42 GMT 2025 , Edited by admin on Mon Mar 31 21:35:42 GMT 2025
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
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