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Chemical structure of N-type calcium channel blocker-1

GC31178

N-type calcium channel blocker-1

Also known as 1-[[4-(dimethylamino)phenyl]methyl]-N-[4-(3,3-dimethylbutyl)phenyl]-N-(3-methylbut-2-enyl)piperidin-4-amine

N-type calcium channel blocker-1 is an orally active compound which shows high affinity to functionally block N-type calcium channels with an IC50 of 0·7 μM in the IMR32 assay

ChemicalCAS241499-17-2MW461.73FormulaC31H47N3
CAS number
241499-17-2
Molecular weight
461.73
Formula
C31H47N3
Solubility
Soluble in DMSO
InChIKey
DGAZXKNFOZWANF-UHFFFAOYSA-N
Catalogue number
GC31178
Brand
GLPBIO
Computed properties PubChem CID 9804373 · XLogP 8.3 · TPSA 9.7 Ų · H-bond donors 0
XLogP
8.3
TPSA
9.7 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
34

SMILES CC(=CCN(C1CCN(CC1)CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)CCC(C)(C)C)C

Computed descriptors from PubChem (CID 9804373), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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