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Substance Name: Bucloxic acid calcium salt
RN: 32808-53-0
UNII: TM91R7KYOT
InChIKey: FKJKZQUQHXSBHB-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C16-H19-Cl-O3.1/2Ca
  • C32-H36-Cl2-O6.Ca

Molecular Weight

  • 627.614
 
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Names and Synonyms

Name of Substance

  • Bucloxic acid calcium salt

Synonyms

  • 3-(3-Chloro-4-cyclohexylbenzoyl)propionic acid calcium salt
  • 3-Chloro-4-cyclohexyl-alpha-oxobenzenebutanoic acid calcium salt
  • 4-(3-Chlor-4-cyclohexyl-phenyl)-4-oxo-buttersaeure kalzium
  • 4-(3-Chlor-4-cyclohexyl-phenyl)-4-oxo-buttersaeure kalzium [German]
  • 4-(3-Chloro-4-cyclohexylphenyl)-4-oxobutyric acid calcium salt
  • 4-(4-Cyclohexyl-3-chlorophenyl)-4-oxobutyric acid calcium salt
  • Acide bucloxique calcium
  • Acide bucloxique calcium [French]
  • Benzenebutanoic acid, 3-chloro-4-cyclohexyl-alpha-oxo-, calcium salt
  • Bucloxic acid calcium
  • Bucloxic acid calcium salt
  • Bucloxinsaeure kalzium
  • Bucloxinsaeure kalzium [German]
  • Bucloxonic acid calcium salt
  • Calcium bucloxate
  • Calcium esfar
  • CB 804 calcium
  • EINECS 251-232-6
  • Esfar calcium
  • l'Acide (cyclohexyl-4, chloro-3, phenyl)-4, oxo-4, butyrique calcium
  • l'Acide (cyclohexyl-4, chloro-3, phenyl)-4, oxo-4, butyrique calcium [French]
  • UNII-TM91R7KYOT

Systematic Names

  • Calcium 3-chloro-4-cyclohexyl-gamma-oxobenzenebutyrate
  • Propionic acid, 3-(3-chloro-4-cyclohexylbenzoyl)-, calcium salt

Registry Numbers

CAS Registry Number

  • 32808-53-0

FDA UNII

  • TM91R7KYOT

Related Registry Number

  • 32808-51-8 (Parent)

System Generated Number

  • 0032808530

Molecular Formulas

Molecular Formulas

  • C16-H19-Cl-O3.1/2Ca
  • C32-H36-Cl2-O6.Ca

Molecular Formula Fragments

  • C16-H19-Cl-O3
  • C32-H36-Cl2-O6
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H19ClO3.Ca/c2*17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11;/h2*6-7,10-11H,1-5,8-9H2,(H,19,20);/q;;+2/p-2

InChIKey

FKJKZQUQHXSBHB-UHFFFAOYSA-L

Smiles

[Ca+2].c1(cc(Cl)c(C2CCCCC2)cc1)C(CCC(=O)[O-])=O.c1(cc(c(cc1)C1CCCCC1)Cl)C(CCC(=O)[O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1700mg/kg (1700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1364, 1974.
mouse LD50 oral 1700mg/kg (1700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1360, 1974.
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1364, 1974.
rat LD50 oral 175mg/kg (175mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1364, 1974.