AG00FDHF

72556-74-2 | Calcium 2-(trimethylammonio)ethyl phosphate chloride tetrahydrate

AG00FDHF

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CAS Number	72556-74-2
Catalog Number	AG00FDHF(AGN-PC-0U0UF2)
Chemical Name	Calcium 2-(trimethylammonio)ethyl phosphate chloride tetrahydrate
IUPAC Name	calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride;tetrahydrate
InChI	InChI=1S/C5H14NO4P.Ca.ClH.4H2O/c1-6(2,3)4-5-10-11(7,8)9;;;;;;/h4-5H2,1-3H3,(H-,7,8,9);;1H;4*1H2/q;+2;;;;;/p-2
InChI Key	JGULOZKZZMBGFX-UHFFFAOYSA-L
MDL Number	MFCD00149983
Molecular Formula	C5H21CaClNO8P
Molecular Weight	329.7269
SMILES	O=P([O-])([O-])OCC[N+](C)(C)C.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Ca+2].[Cl-]
Synonyms	72556-74-2, Phosphocholine chloride calcium salt tetrahydrate, Calcium 2-(trimethylammonio)ethyl phosphate chloride tetrahydrate, Phosphorylcholine chloride calcium salt tetrahydrate, J-650224, Q-201575, 4826-71-5, 15557-11-6, KS-00000QYN, KM1488, MFCD00149983, Phosphorocholine chloride calcium salt, AKOS030228626, Choline chloride phosphate calcium salt, AK548488, SY066821, MFCD00149983 (95%), PHOSPHORYLCHOLINE CHLORIDE CALCIUM SALamp, Calcium chloride 2-(trimethylazaniumyl)ethyl phosphate tetrahydrate, Trans-colin, Choline phosphate chloride, C5H15NO4P.Ca.Cl, C5H15NO4P.xCa.Cl, UNII-P5994SX1EK, Phosphorylcholine calcium salt, Calcium phosphocholine chloride, Phosphorylcholine calcium chloride, C5-H15-N-O4-P.Ca.Cl, Calcium phosphocholine tetrahydrate, Choline chloride O-(calcium phosphate), EINECS 225-403-0, EINECS 239-610-9, CALCIUM PHOSPHORYLCHOLINE CHLORIDE, Phosphorylcholine chloride calcium salt, C5-H15-N-O4-P.x-Ca.Cl.4H2-O, Choline, chloride, dihydrogen phosphate, calcium salt (1:1), Trimethyl[2-(phosphonooxy)ethyl]ammonium chloride, calcium salt (1:1), Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)-, chloride calcium salt, tetrahydrate, Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)-, chloride, calcium salt (1:1),

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	7
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.032g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	329.724g/mol
Monoisotopic Mass	329.032g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	76.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number