Secamine,tetrahydro K176
dimethyl 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-8,9-dihydro-7H-pyrido[1,2-a]indole-6,9-dicarboxylate
Also Known As: Tetrahydrosecamine|SECAMINE,TETRAHYDRO K176|Pyrido(1,2-a)indole-6,9-dicarboxylic acid, 10-(2-(3-ethyl-1-piperidinyl)ethyl)-6-(3-(2-(3-ethyl-1-piperidinyl)ethyl)-1H-indol-2-yl)-6,7,8,9-tetrahydro-, dimethyl ester|dimethyl 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-8,9-dihydro-7H-pyrido[1,2-a]indole-6,9-dicarboxylate
| Molecular Formula | C42H56N4O4 |
|---|---|
| Molecular Weight | 680.4302 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 680.4302 |
| Monoisotopic Mass | 680.4302 |
| Heavy Atoms | 50 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 38402-49-2 |
|---|---|
| SMILES | CCC1CCCN(C1)CCC2=C(NC3=CC=CC=C32)C4(CCC(C5=C(C6=CC=CC=C6N54)CCN7CCCC(C7)CC)C(=O)OC)C(=O)OC |
| InChIKey | HWBGBIQGALATDY-UHFFFAOYSA-N |
Product Overview
Secamine,tetrahydro K176 (CAS 38402-49-2), with molecular formula C42H56N4O4 and molecular weight 680.4302 g/mol. IUPAC: dimethyl 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-8,9-dihydro-7H-pyrido[1,2-a]indole-6,9-dicarboxylate.
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