β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, compd. with calcium chloride (CaCl2) (2:1:1)

CAS Registry Number®

6363-38-8

CAS Name

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, compd. with calcium chloride (CaCl2) (2:1:1)

Molecular Formula

C9H17NO5.1/2CaCl2.1/2Ca

Cite this Page

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, compd. with calcium chloride (CaCl2) (2:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6363-38-8 (retrieved 2024-11-22) (CAS RN: 6363-38-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H17NO5.2Ca.2ClH/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);;;2*1H/q;;+2;;/p-2

InChIKey

InChIKey=NIJGLZKWLHATOW-UHFFFAOYSA-L

SMILES

[Ca](Cl)Cl.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.Cl[Ca]Cl

Other Names for this Substance

  • β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, compd. with calcium chloride (CaCl2) (2:1:1)
  • Pantothenic acid, calcium salt (2:1), compd. with calcium chloride (1:1), DL-
  • β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (±)-, compd. with calcium chloride (CaCl2) (1:1)
  • Calcium chloride, compd. with Ca pantothenate (1:1)
  • Calcium chloride (CaCl2), compd. with (±)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine calcium salt (1:2:1)

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Deleted or Replaced CAS Registry Numbers

34409-86-4, 76422-03-2

CAS INSIGHTSTM
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