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Isometheptene-[d3] Maleate

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General Information
Catalog: BLP-013806
CAS: 1795136-87-6
Molecular Formula: C13H20D3NO4
Molecular Weight: 260.34

Chemical Structure

Description	Isometheptene-[d3] Maleate is the labelled analogue of Isometheptene Maleate, which is used as an antispasmodic drug.
Synonyms	Isometheptene-d3 Maleate; N-(Methyl-d3)-6-methyl-5-hepten-2-amine (2Z)-2-Butenedioate; N-(Methyl-d3)-6-methyl-5-hepten-2-amine (Z)-2-Butenedioate
IUPAC Name	(Z)-but-2-enedioic acid;6-methyl-N-(trideuteriomethyl)hept-5-en-2-amine
Related CAS	51277-00-0 (unlabelled) 503-01-5 (unlabelled free base)
Canonical SMILES	CC(CCC=C(C)C)NC.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C9H19N.C4H4O4/c1-8(2)6-5-7-9(3)10-4;5-3(6)1-2-4(7)8/h6,9-10H,5,7H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/i4D3;
InChI Key	RNTSDCLIDWKCPL-YSTCJFTMSA-N
Melting Point	108-110°C
Solubility	Soluble in Acetonitrile (Slightly), DMSO (Slightly)
Appearance	White Solid
Storage	Store at 2-8°C under inert atmosphere