Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ornithine, N(sup 5),N(sup 5)-bis(2-chloroethyl)-, 2,4,6-trinitrobenzenesulfonate, hydrochloride
RN: 101858-38-2
InChIKey: IRVNESSVSYVAQV-JZGIKJSDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-Cl2-N2-O2.C6-H3-N3-O9-S.Cl-H

Molecular Weight

  • 586.7878
 
* 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

  • 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride

Systematic Name

  • Ornithine, N(sup 5),N(sup 5)-bis(2-chloroethyl)-, 2,4,6-trinitrobenzenesulfonate, hydrochloride

Registry Numbers

CAS Registry Number

  • 101858-38-2

System Generated Number

  • 0101858382

Molecular Formulas

Molecular Formula

  • C9-H18-Cl2-N2-O2.C6-H3-N3-O9-S.Cl-H

Molecular Formula Fragments

  • C6-H3-N3-O9-S
  • C9-H18-Cl2-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H18Cl2N2O2.C6H3N3O9S.ClH/c10-3-6-13(7-4-11)5-1-2-8(12)9(14)15;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;/h8H,1-7,12H2,(H,14,15);1-2H,(H,16,17,18);1H/t8-;;/m0../s1

InChIKey

IRVNESSVSYVAQV-JZGIKJSDSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 30mg/kg (30mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 732, 1960.