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Bambuterol HCl 5mg

CAT: 0628-A14251-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A14251-5Size:5 mg
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CAS Number
81732-46-9

Chemical Information

Bambuterol hydrochloride

Bambuterol hydrochloride is the hydrochloride salt of bambuterol. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline. It has a role as a beta-adrenergic agonist, a bronchodilator agent, a sympathomimetic agent, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an anti-asthmatic drug and a prodrug. It is a carbamate ester, a member of phenylethanolamines and a hydrochloride. It contains a bambuterol.

CAS Number81732-46-9
PubChem CID54765
IUPAC Name[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate;hydrochloride
Molecular FormulaC18H30ClN3O5
Molecular Weight403.9
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity446
SMILES
CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl
InChI
InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H
InChIKey
LBARATORRVNNQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bambuterol hydrochloride
CAS: 81732-46-9
CID: 54765
Formula: C18H30ClN3O5
MW: 403.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass403.1873988
Monoisotopic Mass403.1873988
Topological Polar Surface Area91.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B4719-10Bambuterol
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317309Bambuterol Hydrochloride
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