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Phosphorylcholine-(trimethyl-[d9]) chloride calcium salt

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General Information
Catalog: BLP-001176
CAS: 344299-43-0
Molecular Formula: C5H4D9CaClNO4P
Molecular Weight: 266.72

Chemical Structure

Description	Labelled form of Phosphocholine Chloride, which is a specific promoter of heparin and serum β-lipoprotein interaction.
Synonyms	Calcium phosphorylchloline-(trimethyl-d9) chloride; Phosphocholine-d9 Chloride Calcium Salt; (2-Phosphonoethyl)trimethylammonium Chloride Calcium Salt; N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium-d9 Chloride Calcium Salt
IUPAC Name	calcium;2-[tris(trideuteriomethyl)azaniumyl]ethyl phosphate;chloride
Related CAS	4826-71-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])[N+](CCOP(=O)([O-])[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-].[Ca+2]
Canonical SMILES	C[N+](C)(C)CCOP(=O)([O-])[O-].[Cl-].[Ca+2]
InChI	InChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2/i1D3,2D3,3D3;;
InChI Key	ICVPTJCCKTXCDT-VIVYLVLJSA-L
Melting Point	>270°C (dec.)
Purity	98% by CP; 98% atom D
Appearance	White to Off-white Solid
Storage	−20°C