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Calcium pantothenate

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CATAPS137086
CAS137-08-6
Structure
MDL NumberMFCD00002766
SynonymsCalcium D-pantothenate, Vitamin B5 calcium salt, Pantholin, Panthoject, Calcium D-(+)-N-(alpha,gamma-dihydroxy-beta,beta-dimethylbutyryl)-beta-alaninate, N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine calcium, Calpan, beta-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1), Pancal, Pantothenate calcium, Calpanate, Calcium, bis(pantothenato)- (7CI), NSC 36292, Dextro calcium pantothenate, beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (R)-, Pantothenic acid hemicalcium salt, Calcium D-(+)-pantothenate, Panthothenic acid hemicalcium salt, SKF-D-58861X, Calcium pantothenate, Pantothenic acid calcium salt, Pantothenic acid, calcium salt (2:1), D- (8CI), (+)-Pantothenic acid calcium salt,Calcium bis[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate]
IUPAC Namecalcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
Molecular Weight476.53
Molecular Formula2C9H16NO5.Ca
Canonical SMILES[Ca+2].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]
InChIInChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13
InChI KeyFAPWYRCQGJNNSJ-UBKPKTQASA-L
REAXYS Number3769272
DescriptionUnited States Pharmacopeia (USP) Reference Standard
Accurate Mass476.1683
Formneat
FormatNeat
Linear FormulaHOCH2C(CH3)2CH(OH)CONHCH2CH2CO2 ·1/2Ca
Size200MG, 300MG
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