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Reference substance information

IUPAC name:
N-(2-{[2-(C18 unsat rich alcanamido)ethyl]amino}ethyl)-N-[2-(C18 unsat Rich alcamido)ethyl] C18 unsat Rich alcanamide
Synonyms
Names:
Identifier:
IUPAC name
(10E)-N-{2-[octadecanoyl(2-{[2-(octadecanoylamino)ethyl]amino}ethyl)amino]ethyl}octadec-10-enamide

Molecular and structural information

Molecular formula:
C9H15N4O3; with Fatty acid chain for R1 R2 and R3 group
Molecular weight:
>= 855 - <= 946
SMILES notation:
design arbitrary with R1 = C17H33 ; R2=R3 = C17H35
CCCCCCCCCCCCCCCCCC(=O)N(CCNCCNC(CCCCCCCCCCCCCCCCC)=O)CCNC(CCCCCCCCC=CCCCCCCC)=O
InChl:
design arbitrary with R1 = C17H33 ; R2=R3 = C17H35
InChI=1S/C60H118N4O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(65)62-53-52-61-54-56-64(60(67)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)57-55-63-59(66)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h23,26,61H,4-22,24-25,27-57H2,1-3H3,(H,62,65)(H,63,66)/b26-23+
Structural formula:
Chemical structure