Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Thiazolidineacetic acid, 5-((4-(bis(2-chloroethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-, ammonium salt
RN: 101018-65-9
InChIKey: HFAGZYAPYBZRDY-KJEVSKRMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-Cl2-N2-O3-S2.H3-N

Molecular Weight

  • 436.3821
 
* 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

Synonym

  • 3-(Carboxymethyl)-5-(p-di(2-chloroethyl)aminobenzylidene)rhodanine ammonium salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101018-65-9

System Generated Number

  • 0101018659

Molecular Formulas

Molecular Formula

  • C16-H16-Cl2-N2-O3-S2.H3-N

Molecular Formula Fragments

  • C16-H16-Cl2-N2-O3-S2
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C16H16Cl2N2O3S2.H3N/c17-5-7-19(8-6-18)12-3-1-11(2-4-12)9-13-15(23)20(10-14(21)22)16(24)25-13;/h1-4,9H,5-8,10H2,(H,21,22);1H3/b13-9+;

InChIKey

HFAGZYAPYBZRDY-KJEVSKRMSA-N

Smiles

c1cc(ccc1/C=C/2\C(=O)N(C(=S)S2)CC(=O)[O-])N(CCCl)CCCl.[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 544, 1985.