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Alverine-[d5] Citrate

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General Information
Catalog: BLP-011778
CAS: 1215327-00-6
Molecular Formula: C20H22D5N.C6H8O7
Molecular Weight: 478.57

Chemical Structure

Description	Alverine-[d5] Citrate is the labelled analogue of Alverine Citrate, which is an adrenergic-β3 receptor agonist used as a smooth muscle relaxant.
Synonyms	Alverine D5 Citrate; N-(Ethyl-d5)-N-(3-phenylpropyl)benzenepropanamine 2-Hydroxy-1,2,3-propanetricarboxylate; N-(Ethyl-d5)-3,3'-diphenyldipropylamine Citrate; Antispasmin-d5; Calmabel-d5; Gamatran-d5; NSC 35459-d5; Profenine-d5; Prophelan-d5; Proverine-d5; Spacolin-d5; Spasmaverine-d5; Spasmonal-d5
IUPAC Name	2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1,1,2,2,2-pentadeuterioethyl)-3-phenyl-N-(3-phenylpropyl)propan-1-amine
Related CAS	5560-59-8 (unlabelled) 150-59-4 (unlabelled free base)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])N(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Canonical SMILES	CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI	InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1D3,2D2;
InChI Key	RYHCACJBKCOBTJ-LUIAAVAXSA-N
Purity	>95%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white Solid
Storage	Store at 2-8°C