Calcium pantothenate

CAS Registry Number®

137-08-6
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CAS Name

Calcium pantothenate

Molecular Formula

C9H17NO5.1/2Ca

Cite this Page

Calcium pantothenate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=137-08-6 (retrieved 2021-10-25) (CAS RN: 137-08-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-196 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C9H17NO5.Ca/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=ZIWNLPKLQFDFEU-FJXQXJEOSA-N

SMILES

[C@@H](C(CO)(C)C)(C(NCCC(O)=O)=O)O.[Ca]

Canonical SMILES

[Ca].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]-, calcium salt (2:1)
  • Pantothenic acid, calcium salt (2:1), D-
  • β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (R)-
  • Calcium, bis(pantothenato)-
  • Calcium D-(+)-N-(α,γ-dihydroxy-β,β-dimethylbutyryl)-β-alaninate

Deleted or Replaced CAS Registry Numbers

138932-10-2, 533-61-9, 7693-16-5