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Substance Name: (1,1'-Biphenyl)-4-acetic acid, alpha-methyl-, 3-sulfopropyl ester, sodium salt
RN: 41363-50-2
InChIKey: BOAQRLXCRCQGSV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C18-H19-O5-S.Na
  • C18-H20-O5-S.Na

Molecular Weight

  • 370.399
 
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Names and Synonyms

Synonyms

  • 4-Fenil-alpha-metilfenilacetato-gamma-propilsolfonato sale sodico
  • 4-Fenil-alpha-metilfenilacetato-gamma-propilsolfonato sale sodico [Italian]
  • 4-Phenyl-alpha-methylphenylacetate-gamma-propylsulfonate sodium salt
  • alpha-Methyl-(1,1'-biphenyl)-4-acetic acid 3-sulfopropyl ester sodium salt

Systematic Name

  • (1,1'-Biphenyl)-4-acetic acid, alpha-methyl-, 3-sulfopropyl ester, sodium salt

Registry Numbers

CAS Registry Number

  • 41363-50-2

System Generated Number

  • 0041363502

Molecular Formulas

Molecular Formulas

  • C18-H19-O5-S.Na
  • C18-H20-O5-S.Na

Molecular Formula Fragments

  • C18-H19-O5-S
  • C18-H20-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H20O5S.Na/c1-14(18(19)23-12-5-13-24(20,21)22)15-8-10-17(11-9-15)16-6-3-2-4-7-16;/h2-4,6-11,14H,5,12-13H2,1H3,(H,20,21,22);/q;+1/p-1

InChIKey

BOAQRLXCRCQGSV-UHFFFAOYSA-M

Smiles

c1(c2ccccc2)ccc([C@@H](C(OCCCS(=O)(=O)[O-])=O)C)cc1.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD intravenous > 25mg/kg (25mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Farmaco, Edizione Scientifica. Vol. 28, Pg. 351, 1973.
mouse LD50 oral 730mg/kg (730mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Farmaco, Edizione Scientifica. Vol. 28, Pg. 351, 1973.
mouse LD50 subcutaneous 590mg/kg (590mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Farmaco, Edizione Scientifica. Vol. 28, Pg. 351, 1973.
rat LD50 oral 280mg/kg (280mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR
Farmaco, Edizione Scientifica. Vol. 28, Pg. 351, 1973.
rat LD50 subcutaneous 270mg/kg (270mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Farmaco, Edizione Scientifica. Vol. 28, Pg. 351, 1973.