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
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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
C9H17NO5.1/2CaCl2.1/2CaCite 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 ) (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)
Deleted or Replaced CAS Registry Numbers
34409-86-4, 76422-03-2
