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rac Mirabegron-[d5]

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rac Mirabegron-[d5]

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General Information
Catalog: BLP-012553
CAS: 1215807-38-7
Molecular Formula: C21H19D5N4O2S
Molecular Weight: 401.54

Chemical Structure

Description	rac Mirabegron-[d5] is the labelled analogue of Mirabegron. Mirabegron is an orally bioavailable agonist of the human beta-3 adrenergic receptor, and it is a drug for the treatment of overactive bladder.
Synonyms	rac Mirabegron-d5; 2-Amino-N-[4-[2-[[2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-thiazoleacetamide-d5; 2-(2-Aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetic Acid Anilide-d5
IUPAC Name	2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[2-hydroxy-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]amino]ethyl]phenyl]acetamide
Related CAS	223673-61-8 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)C(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)/i1D,2D,3D,4D,5D
InChI Key	PBAPPPCECJKMCM-RALIUCGRSA-N
Boiling Point	690.0±55.0 °C at 760 mmHg
Melting Point	>152°C (dec.)
Purity	95% by HPLC; 98% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Methanol
Appearance	Off-white Solid
Storage	Store at -20°C

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