β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)
CAS Registry Number®
6381-63-1
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CAS Name
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)Molecular Formula
C9H17NO5.1/2CaCite 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 ) (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
Deleted or Replaced CAS Registry Numbers
7693-17-6, 131346-21-9, 1298118-12-3
