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Substance Name: Lysine, N(sup 6),N(sup 6)-bis(2-chloroethyl)-, 2,4,6-trinitrobenzenesulfonate, hydrochloride,hydrate
RN: 102586-05-0
InChIKey: GOYKMDVCVUIMEU-DXYFNVQQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H20-Cl2-N2-O2.C6-H3-N3-O9-S.Cl-H.H2-O

Molecular Weight

  • 618.8294
 
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Names and Synonyms

Synonyms

  • N(sup 6),N(sup 6)-Bis(2-chloroethyl)-DL-lysine picrylsulfonate hydrochloride monohydrate
  • RTECS OT4914000

Systematic Name

  • Lysine, N(sup 6),N(sup 6)-bis(2-chloroethyl)-, 2,4,6-trinitrobenzenesulfonate, hydrochloride,hydrate

Registry Numbers

CAS Registry Number

  • 102586-05-0

System Generated Number

  • 0102586050

Molecular Formulas

Molecular Formula

  • C10-H20-Cl2-N2-O2.C6-H3-N3-O9-S.Cl-H.H2-O

Molecular Formula Fragments

  • C10-H20-Cl2-N2-O2
  • C6-H3-N3-O9-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C10H20Cl2N2O2.C6H3N3O9S.ClH.H2O/c11-4-7-14(8-5-12)6-2-1-3-9(13)10(15)16;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;;/h9H,1-8,13H2,(H,15,16);1-2H,(H,16,17,18);1H;1H2/t9-;;;/m0.../s1

InChIKey

GOYKMDVCVUIMEU-DXYFNVQQSA-N

Smiles

c1c(cc(c(c1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-].C(CCN(CCCl)CCCl)C[C@@H](C(=O)O)N.O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 3mg/kg (3mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 732, 1960.