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Reference substances

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General information

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Reference substance information

IUPAC name:
N-{2-[4-(2-C18 unsat rich alkylmidoethyl)piperazin-1-yl]ethyl}-N-(C18 unsat Rich alcanoyl) C18 unsat Rich alcanamide
Synonyms
Names:
Identifier:
IUPAC name
(10E)-N-octadecanoyl-N-{2-[4-(2-{[(10E)-octadec-10-enoyl]amino}ethyl)piperazin-1-yl]ethyl}octadec-10-enamide

Molecular and structural information

Molecular formula:
C11H170N4O3; with fatty acid chain R1 R2 and R3
Molecular weight:
>= 885 - <= 972
SMILES notation:
design arbitrary with R1 = R3 = C17H33 ; R2 = C17H35.
CCCCCCC\C=C\CCCCCCCCC(=O)N(CCN1CCN(CC1)CCNC(=O)CCCCCCCC\C=C\CCCCCCC)C(=O)CCCCCCCCCCCCCCCCC
InChl:
design arbitrary with R1 = R3 = C17H33 ; R2 = C17H35.
InChI=1S/C62H118N4O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-60(67)63-52-53-64-54-56-65(57-55-64)58-59-66(61(68)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)62(69)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h22-23,25-26H,4-21,24,27-59H2,1-3H3,(H,63,67)/b25-22+,26-23+
Structural formula:
Chemical structure