1-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]piperidine

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Basic information

CAS: 7510-03-4
Standard SMILES: CC(C)CCCC(C)C1CCC2C3CCC4CC(N5CCCCC5)CCC4(C)C3CCC12C
InChIKey: CACJBZFPYKHUDV-UHFFFAOYSA-N
Molecular formula: C32H57N
Average molar mass: 455.8 g/mol
Monoisotopic mass: 455.44910082

Names & identifiers

Preferred name: 1-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]piperidine
IUPAC: 1-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]piperidine

Names & synonyms

7510-03-4NSC4060161-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]piperidine3-(Piperidin-1-yl)cholestaneDTXSID10324204NSC-406016

Database identifiers

CAS: 7510-03-4
PubChem CID: 347369
DTXSID: DTXSID10324204

Properties

Computed structural properties

XLogP: 10.9
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 33
Formal charge: 0
Complexity: 649

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Compound notes

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