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Substance Name: 4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-phenyl-3-(((phenylmethyl)amino)acetyl)-, methyl ester, monohydrochloride
RN: 155346-66-0
InChIKey: XFUIBYSRPXBJNT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O3-S.Cl-H

Molecular Weight

  • 434.9853
 
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Names and Synonyms

Synonym

  • 2-Phenyl-3-benzylaminoacetyl-4-methoxycarbonyl-5,5-dimethylthiazolidine hydrochloride

Systematic Name

  • 4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-phenyl-3-(((phenylmethyl)amino)acetyl)-, methyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 155346-66-0

System Generated Number

  • 0155346660

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C22-H26-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2O3S.ClH/c1-22(2)19(21(26)27-3)24(20(28-22)17-12-8-5-9-13-17)18(25)15-23-14-16-10-6-4-7-11-16;/h4-13,19-20,23H,14-15H2,1-3H3;1H

InChIKey

XFUIBYSRPXBJNT-UHFFFAOYSA-N

Smiles

CC1(C(N(C(S1)c2ccccc2)C(=O)CNCc3ccccc3)C(=O)OC)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 617, 1993.