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Reference substances

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IUPAC name:
1-(((5-amino-1,3,3-trimethylcyclohexyl)methyl)amino)-3-(4-(2-(4-(3-((3-(aminomethyl)benzyl)amino)-2-hydroxypropoxy)phenyl)propan-2-yl)phenoxy)propan-2-ol

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C39H58N4O4
Molecular weight:
646.917
SMILES notation:
NC1CC(C)(CC(CNCC(COc2ccc(C(C)(c3ccc(OCC(CNCc4cc(CN)ccc4)O)cc3)C)cc2)O)(C1)C)C
InChl:
InChI=1S/C39H58N4O4/c1-37(2)18-32(41)19-39(5,26-37)27-43-23-34(45)25-47-36-15-11-31(12-16-36)38(3,4)30-9-13-35(14-10-30)46-24-33(44)22-42-21-29-8-6-7-28(17-29)20-40/h6-17,32-34,42-45H,18-27,40-41H2,1-5H3
Structural formula:
Chemical structure

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