5-[Methyl(2-phenylethyl)amino]-2-phenyl-2-propan-2-ylpentanenitrile

HCID 71225
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Basic information

CAS
78370-13-5
Standard SMILES
CC(C)C(C#N)(CCCN(C)CCc1ccccc1)c1ccccc1
InChIKey
DWAWDSVKAUWFHC-UHFFFAOYSA-N
Molecular formula
C23H30N2
Average molar mass
334.5 g/mol
Monoisotopic mass
334.24089896

Overview

Emopamil is a member of benzenes and an organic amino compound.

Names & identifiers

Preferred name
5-[Methyl(2-phenylethyl)amino]-2-phenyl-2-propan-2-ylpentanenitrile
IUPAC
5-[methyl(2-phenylethyl)amino]-2-phenyl-2-propan-2-ylpentanenitrile
English name
Emopamil
Molecular formula
C23H30N2
Molecular weight
334.5

Names & synonyms

Emopamil [INN]Emopamilum [Latin]Emopamilo [Spanish]Emopamilo5-[methyl(2-phenylethyl)amino]-2-phenyl-2-propan-2-ylpentanenitrileEmopamilum(+/-)-Sz 45;Racemic emopamil; Sz 45UNII-M514041RF7C23H30N2(+-)EmopamilSCHEMBL93921CHEMBL173809
Show more names
Sz-45Emopamil2-Isopropyl-5(methylphen-ethylamino)-2-phenylvaleronitrile hydrochlorideα-(1-Methylethyl)-α-[3-[methyl(2-phenylethyl)amino]propyl]benzeneacetonitrileBenzeneacetonitrile, a-(1-methylethyl)-a-[3-[methyl(2-phenylethyl)amino]propyl]-Benzeneacetonitrile, α-(1-methylethyl)-α-[3-[methyl(2-phenylethyl)amino]propyl]-
orb2802359CHEBI:34736DWAWDSVKAUWFHC-UHFFFAOYSA-NGLXC-02770MFCD00867153()-Sz 45;Racemic emopamil; Sz 45DB14064CS-0042269

Database identifiers

CAS
78370-13-5
PubChem CID
71225
DTXSID
DTXSID90868474
ChEBI
CHEBI:34736
UNII
M514041RF7
Nikkaji
J22.782J

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
27 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
25

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Boiling point
485.8 · 485.8±45.0 °C(Predicted)
Density
1.003 · 1.003±0.06 g/cm3(Predicted)
pka
9.45 · 9.45±0.50(Predicted)
FDA UNII
514041 RF7 · M514041RF7

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

UsesEmopamil is an inhibitor of calcium channel that can reduce ischemia-induced neuronal cell damage[1].

Suppliers6 total

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
BOC Sciences[email protected]
上海林栎生物科技有限公司13761635123 · [email protected]

Additional notes

DefinitionChEBI: Emopamil is an organic amino compound and a member of benzenes.

Related reactions

2 records
New reaction record

Compound notes

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