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Chemical structure of Cephaeline Dihydrochloride

GC30424

Cephaeline Dihydrochloride

Also listed as (-)-Cephaeline dihydrochloride (NSC 32944)

(-)-Cephaeline dihydrochloride (NSC 32944) is a selective CYP2D6 inhibtor with an IC50 of 121 μM

ChemicalCAS5853-29-2MW539.53FormulaC28H40Cl2N2O4
CAS number
5853-29-2
Molecular weight
539.53
Formula
C28H40Cl2N2O4
Solubility
DMSO ： 250 mg/mL (463·37 mM; Need ultrasonic); H2O ： 125 mg/mL (231·68 mM; Need ultrasonic)
InChIKey
YAOHSWWVTZSRQM-JBKGYMEJSA-N
Catalogue number
GC30424
Brand
GLPBIO
Computed properties PubChem CID 23615629 · TPSA 63.2 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
63.2 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

SMILES CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.Cl.Cl

Computed descriptors from PubChem (CID 23615629), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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