β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)

CAS Registry Number®

6381-63-1

CAS Name

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)

Molecular Formula

C9H17NO5.1/2Ca

Cite this Page

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6381-63-1 (retrieved 2024-11-22) (CAS RN: 6381-63-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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);

InChIKey

InChIKey=ZIWNLPKLQFDFEU-UHFFFAOYSA-N

SMILES

C(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-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)
  • Pantothenic acid, calcium salt (2:1), DL-
  • β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (±)-
  • Racemic calcium pantothenate
  • Calcium DL-pantothenate

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Deleted or Replaced CAS Registry Numbers

7693-17-6, 131346-21-9, 1298118-12-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration