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Substance Name: Pentanedioic acid, 2-(5-((4-(bis(2-chloroethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-, disodium salt, (+-)-
RN: 101018-67-1
InChIKey: KTQMUNYAAZJKGM-BXGYHSFXSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-Cl2-N2-O5-S2.2Na

Molecular Weight

  • 535.3782
 
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Names and Synonyms

Synonym

  • 3-(alpha,gamma-Dicarboxypropyl)(5-(p-di(2-chloroethyl)amino)benzylidene)rhodanine disodium

Systematic Name

  • Pentanedioic acid, 2-(5-((4-(bis(2-chloroethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-, disodium salt, (+-)-

Registry Numbers

CAS Registry Number

  • 101018-67-1

System Generated Number

  • 0101018671

Molecular Formulas

Molecular Formula

  • C19-H20-Cl2-N2-O5-S2.2Na

Molecular Formula Fragments

  • C19-H20-Cl2-N2-O5-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H20Cl2N2O5S2.2Na/c20-7-9-22(10-8-21)13-3-1-12(2-4-13)11-15-17(26)23(19(29)30-15)14(18(27)28)5-6-16(24)25;;/h1-4,11,14H,5-10H2,(H,24,25)(H,27,28);;/q;2*+1/p-2/b15-11+;;

InChIKey

KTQMUNYAAZJKGM-BXGYHSFXSA-L

Smiles

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

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.