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Substance Name: Octadecanamide, N-(2-(bis(3-amino-3-oxopropyl)amino)ethyl)-N-(2-((1-oxooctadecyl)amino)ethyl)-, acetate (1:1)
RN: 68214-52-8
InChIKey: BEGABRDNXCRDEU-UHFFFAOYSA-N

Molecular Formula

  • C46-H91-N5-O4.C2-H4-O2

Molecular Weight

  • 838.307
 
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Names and Synonyms

Synonym

  • EINECS 269-296-9

Systematic Names

  • N-(2-(Bis(3-amino-3-oxopropyl)amino)ethyl)-N-(2-(stearoylamino)ethyl)stearamide monoacetate
  • Octadecanamide, N-(2-(bis(3-amino-3-oxopropyl)amino)ethyl)-N-(2-((1-oxooctadecyl)amino)ethyl)-, acetate (1:1)
  • Octadecanamide, N-(2-(bis(3-amino-3-oxopropyl)amino)ethyl)-N-(2-((1-oxooctadecyl)amino)ethyl)-, monoacetate

Registry Numbers

CAS Registry Number

  • 68214-52-8

System Generated Number

  • 0068214528

Molecular Formulas

Molecular Formula

  • C46-H91-N5-O4.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C46-H91-N5-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C46H91N5O4.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)49-37-40-51(42-41-50(38-35-43(47)52)39-36-44(48)53)46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-42H2,1-2H3,(H2,47,52)(H2,48,53)(H,49,54);1H3,(H,3,4)

InChIKey

BEGABRDNXCRDEU-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCCCCC)(N(CCN(CCC(N)=O)CCC(=O)N)CCNC(=O)CCCCCCCCCCCCCCCCC)=O.CC(O)=O