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Substance Name: Benzenepropanoic acid, 4-chloro-beta-(2-hydroxypropyl)-alpha-phenyl-, monosodium salt
RN: 75115-75-2
InChIKey: YVGIALGEQWDQFW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-Cl-O3.Na

Molecular Weight

  • 340.7802
 
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Names and Synonyms

Synonyms

  • 3-(4'-Chlorphenyl)-5-hydroxy-2-phenylhexansaeure sodium
  • 3-(4'-Chlorphenyl)-5-hydroxy-2-phenylhexansaeure sodium [German]
  • Monosodium 4-chloro-beta-(2-hydroxypropyl)-alpha-phenylbenzenepropanoate

Systematic Name

  • Benzenepropanoic acid, 4-chloro-beta-(2-hydroxypropyl)-alpha-phenyl-, monosodium salt

Registry Numbers

CAS Registry Number

  • 75115-75-2

System Generated Number

  • 0075115752

Molecular Formulas

Molecular Formula

  • C18-H17-Cl-O3.Na

Molecular Formula Fragments

  • C18-H17-Cl-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H19ClO3.Na/c1-12(20)11-16(13-7-9-15(19)10-8-13)17(18(21)22)14-5-3-2-4-6-14;/h2-10,12,16-17,20H,11H2,1H3,(H,21,22);/q;+1/p-1

InChIKey

YVGIALGEQWDQFW-UHFFFAOYSA-M

Smiles

CC(CC(c1ccc(cc1)Cl)C(c2ccccc2)C(=O)[O-])O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   European Patent Application. Vol. #0009153,
mouse LD50 oral 310mg/kg (310mg/kg)   European Patent Application. Vol. #0009153,