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Substance Name: Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dipropyl-, disulfate
ID: BY79228000
InChIKey: PWUUYVYMRWROKR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H46-N2-O2.2H2-O4-S

Molecular Weight

  • 650.85
 
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Names and Synonyms

Synonym

  • M & B 2714

Systematic Name

  • Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dipropyl-, disulfate

Registry Numbers

ID Number

  • NIOSH/BY7922800

System Generated Number

  • BY79228000

Molecular Formulas

Molecular Formula

  • C29-H46-N2-O2.2H2-O4-S

Molecular Formula Fragments

  • C29-H46-N2-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C29H46N2O2.2H2O4S/c1-5-20-30(21-6-2)26-12-16-28(17-13-26)32-24-10-9-11-25-33-29-18-14-27(15-19-29)31(22-7-3)23-8-4;2*1-5(2,3)4/h12-19H,5-11,20-25H2,1-4H3;2*(H2,1,2,3,4)

InChIKey

PWUUYVYMRWROKR-UHFFFAOYSA-N

Smiles

CCCN(CCC)c1ccc(OCCCCCOc2ccc(cc2)N(CCC)CCC)cc1.OS(=O)(=O)O.OS(=O)(=O)O