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Substance Name: Calcium mandelate [USP]
RN: 134-95-2
UNII: 29CS07FZII
InChIKey: GCXSYHGQGJCRRW-UHFFFAOYSA-L

Molecular Formula

  • C8-H8-O3.1/2Ca

Molecular Weight

  • 342.359
 
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Names and Synonyms

Name of Substance

  • Calcium mandelate [USP]
  • Mandelic acid calcium salt

Synonyms

  • Calcium Mandelate
  • EINECS 205-165-4
  • UNII-29CS07FZII

Systematic Name

  • Calcium dimandelate

Registry Numbers

CAS Registry Number

  • 134-95-2

FDA UNII

  • 29CS07FZII

Related Registry Number

  • 90-64-2 (Parent)

System Generated Number

  • 0000134952

Molecular Formulas

Molecular Formula

  • C8-H8-O3.1/2Ca

Molecular Formula Fragments

  • C8-H8-O3
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C8H8O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2

InChIKey

GCXSYHGQGJCRRW-UHFFFAOYSA-L

Smiles

c1([C@@H](C(=O)[O-])O)ccccc1.[Ca+2].c1([C@@H](C(=O)[O-])O)ccccc1