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Chemical structure of N-Demethyl-α-obscurine

GC61985

N-Demethyl-α-obscurine

Also known as (1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one

N-Demethyl-α-obscurine, a lycodine-type Lycopodium alkaloid, is isolated from Lycopodii Herba

ChemicalCAS34399-44-5MW260.37FormulaC16H24N2O
CAS number
34399-44-5
Molecular weight
260.37
Formula
C16H24N2O
InChIKey
SODGYLLKKFRBQO-AZKPJATDSA-N
Catalogue number
GC61985
Brand
GLPBIO
Computed properties PubChem CID 46218452 · XLogP 1.2 · TPSA 41.1 Ų · H-bond donors 2
XLogP
1.2
TPSA
41.1 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
19

SMILES C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4

Computed descriptors from PubChem (CID 46218452), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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