Nisbuterol structure

Nisbuterol

[2-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] 4-methoxybenzoate

Also Known As: Nisbuterol [INN]|nisbuterolum|Nisbuterol [WHO-DD]|Nisbuterol [INN:WHO-DD]|[2-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] 4-methoxybenzoate|Benzoic acid, 4-methoxy-, 2-(acetyloxy)-4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)phenyl ester|Benzoic acid, 4-methoxy-, 2-(acetyloxy)-4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)phenyl ester,(+/-)-|(+/-)-alpha-((tert-Butylamino)methyl)-3,4-dihydroxybenzyl alcohol 3-acetate 4-p-anisate|[2-acetyloxy-4-[1-hydroxy-2-(tert-butylamino)ethyl]phenyl] 4-methoxybenzoate|2-(Acetyloxy)-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl 4-methoxybenzoate|(+-)-.ALPHA.-((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXYBENZYL ALCOHOL 3-ACETATE 4-P-ANISATE|(+-)-ALPHA-((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXYBENZYL ALCOHOL 3-ACETATE 4-P-ANISATE|(+/-)-.ALPHA.-((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXYBENZYL ALCOHOL 3-ACETATE 4-P-ANISATE|BENZOIC ACID, 4-METHOXY-, 2-(ACETYLOXY)-4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)PHENYL ESTER,(+-)-

CAS: 60734-87-4
Molecular Formula C22H27NO6
Molecular Weight 401.18384 g/mol
LogP 3.2612
Topological Polar Surface Area 94.09 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 401.18384
Monoisotopic Mass 401.18384
Heavy Atoms 29
Complexity 854.5965

Chemical Identifiers

CAS Number 60734-87-4
SMILES CC(=O)OC1=C(C=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C2=CC=C(C=C2)OC

Product Overview

Nisbuterol (CAS 60734-87-4), with molecular formula C22H27NO6 and molecular weight 401.18384 g/mol. IUPAC: [2-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] 4-methoxybenzoate.

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