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Tiotropium-[d3]

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Tiotropium-[d3]

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General Information
Catalog: BLP-007456
Molecular Formula: C19H19D3NO4S2+
Molecular Weight: 395.53

Chemical Structure

Description	A labelled analogue of Tiotropium. Tiotropium is a prescription drug. Tiotropium inhalation powder belongs to a class of drugs called inhaled anticholinergic medications.
IUPAC Name	[(1R,2R,4S,5S)-9-methyl-9-(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate
Related CAS	186691-13-4 (unlabelled)
Canonical SMILES	C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
InChI	InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11?,12-,13+,16-,17+/i1D3/t11?,12-,13+,16-,17+,20?
InChI Key	LERNTVKEWCAPOY-QGOZHIFISA-N