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Details

Stereochemistry RACEMIC
Molecular Formula C21H27NO4
Molecular Weight 357.4434
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl albuterol methyl ester

SMILES

COC(=O)C1=C(OCC2=CC=CC=C2)C=CC(=C1)C(O)CNC(C)(C)C

InChI

InChIKey=XKKHEBAZHSBZQI-UHFFFAOYSA-N
InChI=1S/C21H27NO4/c1-21(2,3)22-13-18(23)16-10-11-19(17(12-16)20(24)25-4)26-14-15-8-6-5-7-9-15/h5-12,18,22-23H,13-14H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Benzyl albuterol methyl ester
Common Name English
Benzoic acid,5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-(phenylmethoxy)-,methyl ester
Systematic Name English
Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-(phenylmethoxy)benzoate
Systematic Name English
Code System Code Type Description
CAS
174607-70-6
Created by admin on Sat Dec 16 20:20:36 GMT 2023 , Edited by admin on Sat Dec 16 20:20:36 GMT 2023
PRIMARY
PUBCHEM
22251168
Created by admin on Sat Dec 16 20:20:36 GMT 2023 , Edited by admin on Sat Dec 16 20:20:36 GMT 2023
PRIMARY
FDA UNII
2DDR4UM7CM
Created by admin on Sat Dec 16 20:20:36 GMT 2023 , Edited by admin on Sat Dec 16 20:20:36 GMT 2023
PRIMARY
NIH
NCATS
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