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Reference substances

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

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C68H94N6O8
Molecular weight:
1 123.534
SMILES notation:
CC1(CC(CC(NCC(O)COc2ccc(C(c3ccc(OCC(O)CNCc4cccc(CN)c4)cc3)(C)C)cc2)C1)(C)CNCC(O)COc5ccc(C(c6ccc(OCC(O)CNCc7cccc(CN)c7)cc6)(C)C)cc5)C
InChl:
InChI=1S/C68H94N6O8/c1-65(2)32-56(74-41-60(78)45-82-64-28-20-55(21-29-64)67(5,6)53-16-24-62(25-17-53)80-43-58(76)39-72-37-51-13-9-11-49(31-51)35-70)33-68(7,46-65)47-73-40-59(77)44-81-63-26-18-54(19-27-63)66(3,4)52-14-22-61(23-15-52)79-42-57(75)38-71-36-50-12-8-10-48(30-50)34-69/h8-31,56-60,71-78H,32-47,69-70H2,1-7H3
Structural formula:
Chemical structure

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