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Mirabegron

CAT: 1410-M13587-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M13587-07Size:100 mg
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Description
Mirabegron is a selective β3-adrenoceptor agonist with EC50 of 22.4 nM.
CAS Number
223673-61-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
396.51
Molecular Formula
C21H24N4O2S
Notes
Research use only, not for human use.
Receptor
Β3-adrenoceptor

Chemical Information

Mirabegron

Mirabegron is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-amino-1,3-thiazol-4-ylacetic acid with the anilino group of (1R)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol. Used for the treatment of overactive bladder syndrome. It has a role as a beta-adrenergic agonist. It is a member of ethanolamines, a monocarboxylic acid amide, a member of 1,3-thiazoles and an aromatic amide.

CAS Number223673-61-8
PubChem CID9865528
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
Molecular FormulaC21H24N4O2S
Molecular Weight396.5
XLogP2.1
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity467
SMILES
C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O
InChI
InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
InChIKey
PBAPPPCECJKMCM-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Mirabegron
CAS: 223673-61-8
CID: 9865528
Formula: C21H24N4O2S
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass396.16199719
Monoisotopic Mass396.16199719
Topological Polar Surface Area129 Ų
Heavy Atom Count28
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-14773-01Mirabegron

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