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Reference substance information

IUPAC name:
N-(2-C18 unsat rich alkylamidoethyl)-N-{2-[{2-[(C18 unsat rich alkylamidoethyl)amino]ethyl}(C18 unsat rich alkyl)amino]ethyl} C18 unsat rich alkylamide
Synonyms
Names:
Identifier:
IUPAC name
(9E,11E)-N-{2-[(2-{[(10E,12E)-octadeca-10,12-dienoyl]amino}ethyl)(octadecanoyl)amino]ethyl}-N-[2-(octadecanoylamino)ethyl]octadeca-9,11-dienamide—ethane (1/1)

Molecular and structural information

Molecular formula:
C12H19N5O4; fatty acid chain for R1, R2, R3 and R4 group
Molecular weight:
>= 1 100 - <= 1 200
SMILES notation:
arbitrary design with R1 = R3 = C17H31 and R2 = R4 = C17H35
CCCCCC\C=C\C=C\CCCCCCCC(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCN(CCNC(=O)CCCCCCCC\C=C\C=C\CCCCC)C(=O)CCCCCCCCCCCCCCCCC
InChl:
arbitrary design with R1 = R3 = C17H31 and R2 = R4 = C17H35
InChI=1S/C78H146N4O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-75(83)79-69-71-81(77(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-74-82(78(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-70-80-76(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,25,28-29,32-33,36,40H,5-20,22-24,26-27,30-31,34-35,37-39,41-74H2,1-4H3,(H,79,83)(H,80,84)/b25-21+,32-28+,33-29+,40-36+
Structural formula:
Chemical structure