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Substance Name: 3-Thiazolidineacetic acid, 5-((4-((2-chloroethyl)methylamino)phenyl)methylene)-4-oxo-2-thioxo-, ammonium salt
RN: 101018-66-0
InChIKey: BNCHROQSEHANHE-MXZHIVQLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-Cl-N2-O3-S2.H4-N

Molecular Weight

  • 387.9102
 
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Names and Synonyms

  • 3-Thiazolidineacetic acid, 5-((4-((2-chloroethyl)methylamino)phenyl)methylene)-4-oxo-2-thioxo-, ammonium salt

Registry Numbers

CAS Registry Number

  • 101018-66-0

System Generated Number

  • 0101018660

Molecular Formulas

Molecular Formula

  • C15-H14-Cl-N2-O3-S2.H4-N

Molecular Formula Fragments

  • C15-H14-Cl-N2-O3-S2
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C15H15ClN2O3S2.H3N/c1-17(7-6-16)11-4-2-10(3-5-11)8-12-14(21)18(9-13(19)20)15(22)23-12;/h2-5,8H,6-7,9H2,1H3,(H,19,20);1H3/b12-8+;

InChIKey

BNCHROQSEHANHE-MXZHIVQLSA-N

Smiles

CN(CCCl)c1ccc(cc1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)[O-].[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 544, 1985.