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Substance Name: 3,4-Thiazolidinedicarboxylic acid, 2-phenyl-, 3-(1,1-dimethylethyl) ester, sodium salt
RN: 106086-11-7
InChIKey: RLJJFGYNFYBPDO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N-O4-S.Na

Molecular Weight

  • 331.3662
 
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Names and Synonyms

Synonyms

  • 2-Phenyl-3,4-thiazolidinedicarboxylic acid 3-(1,1-dimethylethyl) ester sodium salt
  • Sodium N-tert-butyloxycarbonyl-2-phenylthiazolidine-4-carboxylate

Systematic Name

  • 3,4-Thiazolidinedicarboxylic acid, 2-phenyl-, 3-(1,1-dimethylethyl) ester, sodium salt

Registry Numbers

CAS Registry Number

  • 106086-11-7

System Generated Number

  • 0106086117

Molecular Formulas

Molecular Formula

  • C15-H18-N-O4-S.Na

Molecular Formula Fragments

  • C15-H18-N-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H19NO4S.Na/c1-15(2,3)20-14(19)16-11(13(17)18)9-21-12(16)10-7-5-4-6-8-10;/h4-8,11-12H,9H2,1-3H3,(H,17,18);/q;+1/p-1

InChIKey

RLJJFGYNFYBPDO-UHFFFAOYSA-M

Smiles

CC(C)(C)OC(=O)N1C(CSC1c2ccccc2)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: IRRITABILITY
Pharmaceutical Chemistry Journal Vol. 20, Pg. 653, 1986.