Sodium pantothenate

CAS Registry Number®

867-81-2

CAS Name

Sodium pantothenate

Molecular Formula

C9H17NO5.Na

Cite this Page

Sodium pantothenate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=867-81-2 (retrieved 2024-11-22) (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

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