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Chemical structure of Hodgkinsine

GC48453

Hodgkinsine

Also known as 3-methyl-5,8b-bis(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

An alkaloid with analgesic activity

ChemicalCAS18210-71-4MW518.7FormulaC33H38N6
CAS number
18210-71-4
Molecular weight
518.7
Formula
C33H38N6
InChIKey
DPVWJPVYOXKFRQ-UHFFFAOYSA-N
Catalogue number
GC48453
Brand
GLPBIO
Computed properties PubChem CID 161244 · XLogP 5.7 · TPSA 45.8 Ų · H-bond donors 3
XLogP
5.7
TPSA
45.8 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
39

SMILES CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C78CCN(C7NC9=CC=CC=C89)C

Computed descriptors from PubChem (CID 161244), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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