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Substance Name: Ammonium, bis(((2,6-dimethoxyphenyl)carbamoyl)methyl)dimethyl-, chloride, hemihydrate
ID: BO89900000
InChIKey: FPABRSMDTFJROA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N3-O6.Cl.1/2H2-O

Molecular Weight

  • 953.9088
 
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Names and Synonyms

Synonym

  • Bis(((2,6-dimethoxyphenyl)carbamoyl)methyl)dimethylammonium chloride hemihydrate

Systematic Name

  • Ammonium, bis(((2,6-dimethoxyphenyl)carbamoyl)methyl)dimethyl-, chloride, hemihydrate

Registry Numbers

ID Number

  • NIOSH/BO8990000

System Generated Number

  • BO89900000

Molecular Formulas

Molecular Formula

  • C22-H30-N3-O6.Cl.1/2H2-O

Molecular Formula Fragments

  • C22-H30-N3-O6
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C22H29N3O6.2ClH.H2O/c2*1-25(2,13-19(26)23-21-15(28-3)9-7-10-16(21)29-4)14-20(27)24-22-17(30-5)11-8-12-18(22)31-6;;;/h2*7-12H,13-14H2,1-6H3,(H-,23,24,26,27);2*1H;1H2

InChIKey

FPABRSMDTFJROA-UHFFFAOYSA-N

Smiles

O.[Cl-].[Cl-].COc1cccc(OC)c1NC(=O)C[N+](C)(C)CC(=O)Nc2c(OC)cccc2OC.COc3cccc(OC)c3NC(=O)C[N+](C)(C)CC(=O)Nc4c(OC)cccc4OC