Products for Research Use Only

Emopamil

CAT: 0013-GTR19240507-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240507-01Size:10 mg
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Description
Emopamil is a calcium channel blocker that mitigates ischemia-induced neuronal injury. It is utilized in neuroscience research to study neuroprotection in models of stroke and cerebral ischemia, both in vitro and in vivo.
CAS Number
78370-13-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
N#CC (C=1C=CC=CC1) (CCCN (C) CCC=2C=CC=CC2) C (C) C
Molecular Formula
C23H30N2
Molecular Weight
334.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Emopamil

Prevents renal injury after warm & cold ischemia.

CAS Number78370-13-5
PubChem CID25202343
IUPAC Name[(4S)-4-cyano-5-methyl-4-phenylhexyl]-methyl-(2-phenylethyl)azanium
Molecular FormulaC23H31N2+
Molecular Weight335.5
XLogP3.9
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge1
Complexity409
SMILES
CC(C)[C@](CCC[NH+](C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3/p+1/t23-/m0/s1
InChIKey
DWAWDSVKAUWFHC-QHCPKHFHSA-O
Chemical Structure
2D Structure
2D structure of Emopamil
CAS: 78370-13-5
CID: 25202343
Formula: C23H31N2+
MW: 335.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight335.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass335.248723997
Monoisotopic Mass335.248723997
Topological Polar Surface Area28.2 Ų
Heavy Atom Count25
Formal Charge1
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes