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rac Fesoterodine-[d14] Fumarate

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General Information
Catalog: BLP-012549
CAS: 1185237-08-4
Molecular Formula: C30H27D14NO7
Molecular Weight: 541.73

Chemical Structure

Description	rac Fesoterodine-[d14] Fumarate is the labelled analogue of Fesoterodine Fumarate. Fesoterodine Fumarate is an antimuscarinic agent and is rapidly de-esterified to its active metabolite 5-hydroxymethyl tolterodine that is a muscarinic receptor antagonist.
Synonyms	rac Fesoterodine D14 Fumarate; (2E)-But-2-enedioic acid-2-(3-{bis[(2H7)propan-2-yl]amino}-1-phenylpropyl)-4-(hydroxymethyl)phenyl 2-methylpropanoate
IUPAC Name	[2-[3-[bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate;(E)-but-2-enedioic acid
Related CAS	1333234-73-3 (unlabelled) 1185237-07-3 (free base)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)OC(=O)C(C)C)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].C(=C/C(=O)O)\C(=O)O
Canonical SMILES	CC(C)C(=O)OC1=C(C=C(C=C1)CO)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C26H37NO3.C4H4O4/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6;5-3(6)1-2-4(7)8/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/i3D3,4D3,5D3,6D3,19D,20D;
InChI Key	MWHXMIASLKXGBU-VCQPCXMRSA-N
Melting Point	61-66°C
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in Methanol
Appearance	Off-white to Light Beige Solid
Storage	Store at -20°C, under inert atmosphere