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Reference substances

Reference substances

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General information

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Reference substance information

IUPAC name:
N-(2-{(C18 unsat Rich Alkanoyl)[2-(2-C18 unsat Rich Alkyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]amino}ethyl)C18 unsat Rich Alkylamide
Synonyms
Names:
Identifier:
IUPAC name
(9E)-N-(2-{(2-{2-[(9E)-heptadec-9-en-1-yl]-4,5-dihydro-1H-imidazol-1-yl}ethyl)[(10E)-octadec-10-enoyl]amino}ethyl)octadec-9-enamide

Molecular and structural information

Molecular formula:
C9H13N4O2, with fatty acid chain R1 R2 and R3
Molecular weight:
>= 840 - <= 928
SMILES notation:
Design arbitrary as R1 = R2 = R3 = C17H33
CCCCCCC\C=C\CCCCCCCCC(=O)N(CCNC(=O)CCCCCCC\C=C\CCCCCCCC)CCN1CCN=C1CCCCCCCC\C=C\CCCCCCC
InChl:
Design arbitrary as R1 = R2 = R3 = C17H33
InChI=1S/C60H112N4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58-61-52-54-63(58)56-57-64(60(66)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55-53-62-59(65)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h22,24-27,29H,4-21,23,28,30-57H2,1-3H3,(H,62,65)/b25-22+,27-24+,29-26+
Structural formula:
Chemical structure