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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
3-({[3-(4-{2-[4-(3-{[(5-{[3-(4-{2-[4-(3-{[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino}-2-hydroxypropoxy)phenyl]propan-2-yl}phenoxy)-2-
hydroxypropyl]amino}-1,3,3-trimethylcyclohexyl)methyl]amino}-2-hydroxypropoxy)phenyl]propan-2-yl}phenoxy)-2-hydroxypropyl]amino}methyl)-3,5,5-
trimethylcyclohexan-1-amine

Molecular and structural information

Molecular formula:
C72H114N6O8
Molecular weight:
1 191.7
SMILES notation:
CC1(C)CC(C)(CC(N)C1)CNCC(O)COc2ccc(cc2)C(C)(C)c3ccc(cc3)OCC(O)CNCC7(C)CC(C)(C)CC(NCC(O)COc4ccc(cc4)C(C)(C)c6ccc(OCC(O)CNCC5(C)CC(C)(C)CC(N)C5)cc6)C7
InChl:
InChI=1/C72H114N6O8/c1-65(2)30-54(73)32-70(11,44-65)47-75-36-57(79)40-83-61-22-14-50(15-23-61)68(7,8)51-18-26-63(27-19-51)85-42-59(81)38-77-49-72(13)35-56(34-67(5,6)46-72)78-39-60(82)43-86-64-28-20-53(21-29-64)69(9,10)52-16-24-62(25-17-52)84-41-58(80)37-76-48-71(12)33-55(74)31-66(3,4)45-71/h14-29,54-60,75-82H,30-49,73-74H2,1-13H3
Structural formula:
Chemical structure