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Substance Name: Acetamide, 2-((2-chloroethyl)(3-chloropropyl)amino)-, picrylsulfonate
ID: AB54750000
InChIKey: CFVABIMVGOFYRF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-C12-N2-O.C6-H3-N3-O9-S

Molecular Weight

  • 506.2743
 
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Names and Synonyms

Synonym

  • 2-((2-Chloroethyl)(3-chloropropyl)amino)acetamide picrylsulfonate

Systematic Name

  • Acetamide, 2-((2-chloroethyl)(3-chloropropyl)amino)-, picrylsulfonate

Registry Numbers

ID Number

  • NIOSH/AB5475000

System Generated Number

  • AB54750000

Molecular Formulas

Molecular Formula

  • C7-H14-C12-N2-O.C6-H3-N3-O9-S

Molecular Formula Fragments

  • C6-H3-N3-O9-S
  • C7-H14-C12-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C7H14Cl2N2O.C6H3N3O9S/c8-2-1-4-11(5-3-9)6-7(10)12;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-6H2,(H2,10,12);1-2H,(H,16,17,18)

InChIKey

CFVABIMVGOFYRF-UHFFFAOYSA-N

Smiles

NC(=O)CN(CCCl)CCCCl.OS(=O)(=O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]