Di(demethoxycarbonyl)tetrahydrosecamine

HCID 182136

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Basic information

CAS: 33626-53-8
Standard SMILES: CCC1CCCN(CCc2c(C3CCCc4c(CCN5CCCC(CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1
InChIKey: RJMPZVNRFHISRQ-UHFFFAOYSA-N
Molecular formula: C38H52N4
Average molar mass: 564.8 g/mol
Monoisotopic mass: 564.41919768

Names & identifiers

Preferred name: Di(demethoxycarbonyl)tetrahydrosecamine
IUPAC: 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole

Names & synonyms

Di(demethoxycarbonyl)tetrahydrosecamine88728-16-910-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-{3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl}-6,7,8,9-tetrahydropyrido[1,2-a]indoleDTXSID2095526033626-53-8

Database identifiers

CAS: 33626-53-8、88728-16-9
PubChem CID: 182136
DTXSID: DTXSID20955260

Properties

Computed structural properties

XLogP: 8.5
Topological polar surface area: 27.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 9
Heavy atoms: 42
Formal charge: 0
Complexity: 847

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