Calcium pantothenate
CAS Registry Number®
137-08-6
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CAS Name
Calcium pantothenateMolecular Formula
C9H17NO5.1/2CaCite this Page
Calcium pantothenate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=137-08-6 (retrieved ) (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
