Nexopamil
Basic information
- CAS
136033-49-3- Standard SMILES
CCCCCCN(C)CCC[C@@](C#N)(c1cc(OC)c(OC)c(OC)c1)C(C)C- InChIKey
SKDZEFVVFACNLS-DEOSSOPVSA-N- Molecular formula
- C24H40N2O3
- Average molar mass
- 404.6 g/mol
- Monoisotopic mass
- 404.30389314
Overview
Nexopamil is a small molecule drug. Nexopamil has a monoisotopic molecular weight of 404.3 Da.
Names & identifiers
- Preferred name
- Nexopamil
- IUPAC
- (2S)-5-[hexyl(methyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
- English name
- Nexopamil
- Molecular formula
- C24H40N2O3
- Molecular weight
- 404.591
Names & synonyms
Nexopamil136033-49-3nexopamiloECA0E1PO91lu-49938nexopamilumRefChem:165613lu49938Nexopamil [INN](2S)-5-[hexyl(methyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile(2S)-5-(Hexylmethylamino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrileUNII-ECA0E1PO91
Show more names
LU 49938
orb1699840SCHEMBL1980872CHEMBL2106832DTXSID701350900GLXC-27627EX-A10735AKOS040749020TS-08588
Database identifiers
- CAS
136033-49-3- PubChem CID
- 65984
- DTXSID
DTXSID701350900- ChEMBL
CHEMBL2106832- UNII
- ECA0E1PO91
- Nikkaji
- J554.934E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- FDA UNII
- 0 E1PO91 · ECA0E1PO91
Chemistry & industry
Applications
UsesNexopamil is a calcium antagonist of Ca2+ channel, 5HT2, 5HT1A, 5HT1C and dopamine D2 receptors. Nexopamil exhibits vasodilatory, cardioprotective, and platelet aggregation inhibiting effects. Nexopamil can be used for researches of stable or unstable angina and possibly of peripheral arterial occlusive disease[1].
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Related reactions
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Compound notes
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