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Bitolterol

CAT: 0931-T69485-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69485-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30392-40-6
Target
Others, Adrenergic Receptor
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
Bitolterol is a new beta 2-adrenergic agonist and classified as a pro-drug.
Smiles
O(C(=O)C1=CC=C(C)C=C1)C2=C(OC(=O)C3=CC=C(C)C=C3)C=CC(C(CNC(C)(C)C)O)=C2
Molecular Formula
C28H31NO5
Molecular Weight
461.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bitolterol

Bitolterol is the di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema. It has a role as a beta-adrenergic agonist, a bronchodilator agent, an anti-asthmatic drug and a prodrug. It is a member of ethanolamines, a carboxylic ester, a secondary alcohol, a secondary amino compound and a diester.

CAS Number30392-40-6
PubChem CID35330
IUPAC Name[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
Molecular FormulaC28H31NO5
Molecular Weight461.5
XLogP5.2
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity658
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3
InChIKey
FZGVEKPRDOIXJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bitolterol
CAS: 30392-40-6
CID: 35330
Formula: C28H31NO5
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass461.22022309
Monoisotopic Mass461.22022309
Topological Polar Surface Area84.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity658
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
HY-A0267Bitolterol
162911Bitolterol Mesylate
162912Bitolterol-d9
HY-16103Bitolterol (mesylate)
263588-01Bitolterol discontinued. See 162911

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