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Substance Name: B 807-27
RN: 78573-70-3
InChIKey: VMVZSXFXGNJMPW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-Cl-O3.Na

Molecular Weight

  • 290.72
 
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Names and Synonyms

Name of Substance

  • B 807-27

Synonyms

  • 2-(5-(p-Chlorophenyl)pentyl)glycidic acid sodium salt
  • Oxirane-2-carboxylic acid, 2-(5-(p-chlorophenyl)pentyl)-, sodium salt
  • Sodium 2-(5-(4-chlorophenyl)pentyl)oxirane-2-carboxylate

Systematic Names

  • Glycidic acid, 2-(5-(p-chlorophenyl)pentyl)-, sodium salt
  • Oxiranecarboxylic acid, 2-(5-(4-chlorophenyl)pentyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 78573-70-3

System Generated Number

  • 0078573703

Molecular Formulas

Molecular Formula

  • C14-H16-Cl-O3.Na

Molecular Formula Fragments

  • C14-H16-Cl-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H17ClO3.Na/c15-12-7-5-11(6-8-12)4-2-1-3-9-14(10-18-14)13(16)17;/h5-8H,1-4,9-10H2,(H,16,17);/q;+1/p-1

InChIKey

VMVZSXFXGNJMPW-UHFFFAOYSA-M

Smiles

C1[C@@](O1)(CCCCCc1ccc(Cl)cc1)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 477mg/kg (477mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 109, 1982.