Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butanoic acid, 4-(((2-phenyl-4-thiazolidinyl)carbonyl)amino)-, methyl ester, monohydrochloride
RN: 106086-23-1
InChIKey: XRELFAGRJLWRIF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-N2-O3-S.Cl-H

Molecular Weight

  • 344.861
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 4-(((2-Phenyl-4-thiazolidinyl)carbonyl)amino)butanoic acid methyl ester monohydrochloride
  • Methyl 2-phenylthiazolidine-4-carbonyl-N-aminobutyrate hydrochloride

Systematic Name

  • Butanoic acid, 4-(((2-phenyl-4-thiazolidinyl)carbonyl)amino)-, methyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 106086-23-1

System Generated Number

  • 0106086231

Molecular Formulas

Molecular Formula

  • C15-H20-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C15-H20-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H20N2O3S.ClH/c1-20-13(18)8-5-9-16-14(19)12-10-21-15(17-12)11-6-3-2-4-7-11;/h2-4,6-7,12,15,17H,5,8-10H2,1H3,(H,16,19);1H

InChIKey

XRELFAGRJLWRIF-UHFFFAOYSA-N

Smiles

c1([C@@H]2[NH2+][C@@H](C(NCCCC(OC)=O)=O)CS2)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

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