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Substance Name: Calcium alpha-D-glucoheptonate
RN: 17140-60-2
UNII: 45E26F1TPT
InChIKey: FATUQANACHZLRT-XBQZYUPDSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C14-H28-O16.Ca
  • C7-H14-O8.1/2Ca

Molecular Weight

  • 490.421
 
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Names and Synonyms

Results Name

  • Calcium alpha-D-glucoheptonate

Name of Substance

  • Calcium D-glycero-D-gulo-heptonate

Synonyms

  • Calcium D-glycero-D-gulo-heptonate (1:2)
  • Calcium-alpha-D-glucoheptonate
  • Calcium-bis(D-glycero-D-gulo-heptonat)
  • D-glycero-D-gulo-Heptonic acid, calcium salt
  • EINECS 241-203-6
  • Glucoheptonic acid, calcium salt (2:1)
  • NSC 42196
  • UNII-45E26F1TPT

Systematic Names

  • Calcium glucoheptonate
  • D-glycero-D-gulo-Heptonic acid, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 17140-60-2

FDA UNII

  • 45E26F1TPT

Other Registry Number

  • 4752-34-5

Related Registry Number

  • 87-74-1 (Parent)

System Generated Number

  • 0017140602

Molecular Formulas

Molecular Formulas

  • C14-H28-O16.Ca
  • C7-H14-O8.1/2Ca

Molecular Formula Fragments

  • C14-H28-O16
  • C7-H14-O8
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6-;/m11./s1

InChIKey

FATUQANACHZLRT-XBQZYUPDSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1170mg/kg (1170mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 274, 1970.