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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-{[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}-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:
C103H160N8O12
Molecular weight:
1 702.4
SMILES notation:
CC(C)(c1ccc(cc1)OCC(O)CNC2CC(C)(C)CC(C)(C2)CNCC(O)COc3ccc(cc3)C(C)(C)c4ccc(cc4)OCC(O)CNC5CC(C)(C)CC(C)(C5)CNCC(O)COc6ccc(cc6)C(C)(C)c8ccc(OCC(O)CNCC7(C)CC(C)(C)CC(N)C7)cc8)c%10ccc(OCC(O)CNCC9(C)CC(C)(C)CC(N)C9)cc%10
InChl:
InChI=1/C103H160N8O12/c1-93(2)43-77(104)45-100(15,63-93)67-106-51-81(112)57-118-87-31-19-71(20-32-87)97(9,10)72-23-35-89(36-24-72)120-59-83(114)53-108-69-102(17)49-79(47-95(5,6)65-102)111-56-86(117)62-123-92-41-29-76(30-42-92)99(13,14)74-25-37-90(38-26-74)121-60-84(115)54-109-70-103(18)50-80(48-96(7,8)66-103)110-55-85(116)61-122-91-39-27-75(28-40-91)98(11,12)73-21-33-88(34-22-73)119-58-82(113)52-107-68-101(16)46-78(105)44-94(3,4)64-101/h19-42,77-86,106-117H,43-70,104-105H2,1-18H3
Structural formula:
Chemical structure