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Vitamin B5-[13C6,15N2] calcium salt

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General Information
Catalog: BLP-000289
Molecular Formula: C12[13C]6H32Ca[15N]2O10
Molecular Weight: 484.47

Chemical Structure

Synonyms	Calcium pantothenate-13C6, 15N2; di-β-alanine-13C6, 15N2
IUPAC Name	calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoate
Related CAS	137-08-6 (unlabelled)
Canonical SMILES	CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2]
InChI	InChI=1S/2C9H17NO5.Ca/c21-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h27,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t27-;/m00./s1/i23+1,4+1,6+1,10+1;
InChI Key	FAPWYRCQGJNNSJ-DXAJRXMUSA-L
Purity	≥97% (CP); ≥98% atom
Appearance	White to Off-white Powder
Storage	Store at -20°C