Mirabegron
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
Molecular Identity
Mirabegron
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
PubChem CID: 9865528
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.
2D Structure
Properties
C21H24N4O2S
Molecular Formula
396.50
Molecular Weight
g/mol
396.1620
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
129
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
467
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Mirabegron223673-61-8MyrbetriqBetanisBetmigaYM-178YM178MVR3JL3B2V2-(2-amino-1,3-thiazol-4-yl)-N-[4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)phenyl]acetamideCHEBI:65349DTXSID1010216482-(2-Aminothiazol-4-yl)-4'-(2-((2-hydroxy-2-phenylethyl)amino)ethyl)acetanilide4-Thiazoleacetamide, 2-amino-N-(4-(2-(((2R)-2-hydroxy-2-phenylethyl)amino)ethyl)phenyl)-2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide2-(2-AMINO-1,3-THIAZOL-4-YL)-N-(4-(2-(((2R)-2-HYDROXY-2-PHENYLETHYL)AMINO)ETHYL)PHENYL)ACETAMIDE
Data from PubChem (NCBI)
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