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Substance Name: Calcium pantothenate hydrate
RN: 63409-48-3
InChIKey: FAPWYRCQGJNNSJ-UHFFFAOYSA-L

Molecular Formula

  • C9-H17-N-O5.1/2Ca.1/2H2-O

Molecular Weight

  • 476.5328
 
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Names and Synonyms

Results Name

  • Calcium pantothenate hydrate

Synonym

  • Pantothenic acid, calcium salt hydrate

Systematic Names

  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), monohydrate
  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), monohydrate, (+-)-

Registry Numbers

CAS Registry Number

  • 63409-48-3

System Generated Number

  • 0063409483

Molecular Formulas

Molecular Formula

  • C9-H17-N-O5.1/2Ca.1/2H2-O

Molecular Formula Fragments

  • C9-H17-N-O5
  • Ca
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2

InChIKey

FAPWYRCQGJNNSJ-UHFFFAOYSA-L

Smiles

CC(C)(CO)C(C(=O)NCCC(=O)O[Ca]OC(=O)CCNC(=O)C(C(C)(C)CO)O)O