Basic information
- CAS
92302-55-1- Standard SMILES
COc1cccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)c1- InChIKey
VMVKIDPOEOLUFS-UHFFFAOYSA-N- Molecular formula
- C26H36N2O3
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.27259301
Overview
Devapamil is a nitrile that acts as an L-type calcium channel blocker. It has a role as a vasodilator agent, an anti-arrhythmia drug and a calcium channel blocker. It is a nitrile, an aromatic ether and a tertiary amino compound.
Names & identifiers
- Preferred name
- Devapamil
- IUPAC
- 2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
- English name
- Devapamil
- Molecular formula
- C26H36N2O3
- Molecular weight
- 424.58
Names & synonyms
Devapamil92302-55-1DevapamiloDevapamilumDesmethoxyverapamilM6142PTV7J2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-((m-methoxyphenethyl)methylamino)valeronitrileD 888CHEBI:346732-(3,4-dimethoxyphenyl)-2-isopropyl-5-{[2-(3-methoxyphenyl)ethyl](methyl)amino}pentanenitrile2-(3,4-dimethoxyphenyl)-2-isopropyl-5-((2-(3-methoxyphenyl)ethyl)(methyl)amino)pentanenitrileRefChem:132359
Show more names
2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-[[2-(3-methoxyphenyl)ethyl]methylamino]valeronitrileBenzeneacetonitrile, 3,4-dimethoxy-α-[3-[[2-(3-methoxyphenyl)ethyl]methylamino]propyl]-α-(1-methylethyl)-
BENZENEACETONITRILE, 3,4-DIMETHOXY-ALPHA-(3-((2-(3-METHOXYPHENYL)ETHYL)METHYLAMINO)PROPYL)-ALPHA-(1-METHYLETHYL)-Devapamil [INN](+/-)-Devapamil2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrileD 888; Desmethoxyverapamil; DevapamilDevapamilum [Latin]Devapamilo [Spanish]D888,(+)
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Boiling point
- 567 · 567.0±50.0 °C(Predicted)
- Density
- 1.047 · 1.047
- pka
- 9.08 · 9.08±0.50(Predicted)
- FDA UNII
- 6142 PTV7J · M6142PTV7J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Applications
UsesDevapamil (D 888; Desmethoxyverapamil) is an antagonist for calcium channel[1].
Suppliers10 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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