Sodium pantothenate
CAS Registry Number®
867-81-2
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CAS Name
Sodium pantothenateMolecular Formula
C9H17NO5.NaCite this Page
Sodium pantothenate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=867-81-2 (retrieved ) (CAS RN: 867-81-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
171-178 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/t7-;/m0./s1
InChIKey
InChIKey=UZJUAHVVGIIUPT-FJXQXJEOSA-N
SMILES
[C@@H](C(CO)(C)C)(C(NCCC(O)=O)=O)O.[Na]
Canonical SMILES
[Na].O=C(O)CCNC(=O)C(O)C(C)(C)CO
Other Names for this Substance
- β-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, sodium salt (1:1)
- Pantothenic acid, monosodium salt, D-
- β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, monosodium salt, (R)-
- β-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, monosodium salt
- Sodium pantothenate
