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Reference substances

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IUPAC name:
1,19-bis[4-(2-{4-[3-({2-[(2-aminoethyl)amino]ethyl}amino)-2-hydroxypropoxy]phenyl}propan-2-yl)phenoxy]-4,7,10,13,16-pentaazanonadecane-2,18-diol

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C58H97N11O8
Molecular weight:
1 076.483
SMILES notation:
CC(C)(c1ccc(OCC(O)CNCCNCCN)cc1)c4ccc(OCC(O)CNCCNCCNCCNCCNCC(O)COc3ccc(C(C)(C)c2ccc(OCC(O)CNCCNCCN)cc2)cc3)cc4
InChl:
InChI=1S/C58H97N11O8/c1-57(2,45-5-13-53(14-6-45)74-41-49(70)37-66-33-29-61-23-21-59)47-9-17-55(18-10-47)76-43-51(72)39-68-35-31-64-27-25-63-26-28-65-32-36-69-40-52(73)44-77-56-19-11-48(12-20-56)58(3,4)46-7-15-54(16-8-46)75-42-50(71)38-67-34-30-62-24-22-60/h5-20,49-52,61-73H,21-44,59-60H2,1-4H3
Structural formula:
Chemical structure

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