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D-Pantothenic Acid Calcium Salt Hydrate
[CAS# 331748-07-3]

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Identification
Name D-Pantothenic Acid Calcium Salt Hydrate
Synonyms D-Pantothenic Acid Calcium Salt Hydrate; Calcium D-Pantothenate Hydrate
Molecular Structure CAS#: 331748-07-3, D-Pantothenic Acid Calcium Salt Hydrate
Molecular Formula C18H34CaN2O11
Molecular Weight 494.55
CAS Registry Number 331748-07-3
SMILES OCC(C(C(=O)NCCC(=O)[O-])O)(C)C.OCC(C(C(=O)NCCC(=O)[O-])O)(C)C.[Ca+2].O
InChI 1S/2C9H17NO5.Ca.H2O/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;1H2/q;;+2;/p-2
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