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Structure

Calcium phosphorylcholine chloride

CAS
4826-71-5
Catalog Number
ACM4826715
Category
Main Products
Molecular Weight
206.13
Molecular Formula
C3H4KO6P

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Specification

Synonyms
Choline phosphate chloride
IUPAC Name
Calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride
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
InChI Key
ICVPTJCCKTXCDT-UHFFFAOYSA-L
Melting Point
175 °C(lit.)
Appearance
Solid
Storage
2-8 °C
Complexity
147
Exact Mass
256.9896634
Hazard Statements
Xi
Monoisotopic Mass
256.9896634
Safety Description
26-36
Topological Polar Surface Area
72.4 Ų
WGK Germany
3
What is the molecular formula of calcium phosphorylcholine chloride?

The molecular formula is C5H13CaClNO4P.

What are some synonyms for calcium phosphorylcholine chloride?

Some synonyms include CALCIUM PHOSPHORYLCHOLINE CHLORIDE, Trans-colin, and Phosphocholine Chloride Calcium Salt.

What is the CAS number of calcium phosphorylcholine chloride?

The CAS number is 4826-71-5.

What is the IUPAC name of calcium phosphorylcholine chloride?

The IUPAC name is calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride.

What is the InChI key of calcium phosphorylcholine chloride?

The InChI key is ICVPTJCCKTXCDT-UHFFFAOYSA-L.

What is the canonical SMILES of calcium phosphorylcholine chloride?

The canonical SMILES is C[N+](C)(C)CCOP(=O)([O-])[O-].[Cl-].[Ca+2].

What is the European Community (EC) number of calcium phosphorylcholine chloride?

The EC number is 225-403-0.

What is the DSSTox Substance ID of calcium phosphorylcholine chloride?

The DSSTox Substance ID is DTXSID601335812.

What is the Wikidata ID of calcium phosphorylcholine chloride?

The Wikidata ID is Q27286216.

What is the computed date of calcium phosphorylcholine chloride?

The computed date is 2005-08-08.

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