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Bambuterol

CAT: 0607-B4719-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-B4719-5.1Size:10 mM (in 1mL DMSO)
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Description
long acting beta-adrenoceptor agonist
CAS Number
81732-65-2
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.98
Form
A solid
Solubility
≥17.3 mg/mL in DMSO with gentle warming; ≥2.38 mg/mL in EtOH with gentle warming and ultrasonic; ≥21 mg/mL in H2O
Smiles
O[C@H](C1=CC(OC(N(C)C)=O)=CC(OC(N(C)C)=O)=C1)CNC(C)(C)C
Molecular Formula
C18H29N3O5
Molecular Weight
367.44
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Bambuterol

Bambuterol is a carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. 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, a prodrug and a tocolytic agent. It is a carbamate ester and a member of phenylethanolamines. It is functionally related to a terbutaline.

CAS Number81732-65-2
PubChem CID54766
IUPAC Name[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
Molecular FormulaC18H29N3O5
Molecular Weight367.4
XLogP1.2
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity446
SMILES
CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O
InChI
InChI=1S/C18H29N3O5/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
InChIKey
ANZXOIAKUNOVQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bambuterol
CAS: 81732-65-2
CID: 54766
Formula: C18H29N3O5
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass367.21072103
Monoisotopic Mass367.21072103
Topological Polar Surface Area91.3 Ų
Heavy Atom Count26
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T22599-01Bambuterol
317309Bambuterol Hydrochloride
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C10076Bambuterol HCl
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A21955-100Bambuterol 100mg
A21955-25Bambuterol 25mg
MBS5811254(R)-Bambuterol

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