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Substance Name: 1-Propanaminium, N,N'-(methylenebis(4,1-phenyleneimino(2-oxo-2,1-ethanediyl)))bis(N,N-dimethyl-3-((4-nitrobenzoyl)amino)-, chloride (1:2)
RN: 99377-84-1
InChIKey: INUMDBSMONRFNR-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C41-H50-N8-O8.2Cl

Molecular Weight

  • 853.8
 
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Names and Synonyms

  • 1-Propanaminium, N,N'-(methylenebis(4,1-phenyleneimino(2-oxo-2,1-ethanediyl)))bis(N,N-dimethyl-3-((4-nitrobenzoyl)amino)-, chloride (1:2)
  • 1-Propanaminium, N,N'-(methylenebis(4,1-phenyleneimino(2-oxo-2,1-ethanediyl)))bis(N,N-dimethyl-3-((4-nitrobenzoyl)amino)-, dichloride

Registry Numbers

CAS Registry Number

  • 99377-84-1

System Generated Number

  • 0099377841

Molecular Formulas

Molecular Formula

  • C41-H50-N8-O8.2Cl

Molecular Formula Fragments

  • C41-H50-N8-O8
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C41H48N8O8.2ClH/c1-48(2,25-5-23-42-40(52)32-11-19-36(20-12-32)46(54)55)28-38(50)44-34-15-7-30(8-16-34)27-31-9-17-35(18-10-31)45-39(51)29-49(3,4)26-6-24-43-41(53)33-13-21-37(22-14-33)47(56)57;;/h7-22H,5-6,23-29H2,1-4H3,(H2-2,42,43,44,45,50,51,52,53);2*1H

InChIKey

INUMDBSMONRFNR-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)NC(C[N+](CCCNC(c1ccc(cc1)[N+](=O)[O-])=O)(C)C)=O)c1ccc(cc1)NC(C[N+](CCCNC(c1ccc(cc1)[N+](=O)[O-])=O)(C)C)=O.[ClH-].[ClH-]