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Substance Name: Ammonium, bis(((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl-, chloride, hemihydrate
ID: BO89350000
InChIKey: TWABTTPGUUIGCA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-Cl2-N3-O2.Cl.1/2H2-O

Molecular Weight

  • 907.59
 
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Names and Synonyms

Synonym

  • Bis(((6-chloro-o-tolyl)carbamoyl)methyl)dimethylammonium chloride hemihydrate

Systematic Name

  • Ammonium, bis(((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl-, chloride, hemihydrate

Registry Numbers

ID Number

  • NIOSH/BO8935000

System Generated Number

  • BO89350000

Molecular Formulas

Molecular Formula

  • C20-H24-Cl2-N3-O2.Cl.1/2H2-O

Molecular Formula Fragments

  • C20-H24-Cl2-N3-O2
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C20H23Cl2N3O2.2ClH.H2O/c2*1-13-7-5-9-15(21)19(13)23-17(26)11-25(3,4)12-18(27)24-20-14(2)8-6-10-16(20)22;;;/h2*5-10H,11-12H2,1-4H3,(H-,23,24,26,27);2*1H;1H2

InChIKey

TWABTTPGUUIGCA-UHFFFAOYSA-N

Smiles

O.[Cl-].[Cl-].Cc1cccc(Cl)c1NC(=O)C[N+](C)(C)CC(=O)Nc2c(C)cccc2Cl.Cc3cccc(Cl)c3NC(=O)C[N+](C)(C)CC(=O)Nc4c(C)cccc4Cl