Butanoic acid, 4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-, calcium salt (2:1)

CAS Registry Number®

17097-76-6

CAS Name

Butanoic acid, 4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-, calcium salt (2:1)

Molecular Formula

C10H19NO5.1/2Ca

Cite this Page

Butanoic acid, 4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-, calcium salt (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17097-76-6 (retrieved 2024-11-24) (CAS RN: 17097-76-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H19NO5.Ca/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);/t8-;/m0./s1

InChIKey

InChIKey=SQECDIPNDNCZOB-QRPNPIFTSA-N

SMILES

C([C@@H](C(CO)(C)C)O)(NCCCC(O)=O)=O.[Ca]

Canonical SMILES

[Ca].O=C(O)CCCNC(=O)C(O)C(C)(C)CO

Other Names for this Substance

  • Butanoic acid, 4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-, calcium salt (2:1)
  • Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1), D-(+)-
  • Butanoic acid, 4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, calcium salt (2:1), (R)-
  • Calcium homopantothenate
  • Calcium D-homopantothenate

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