Basic information
- CAS
16662-47-8- Standard SMILES
COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC- InChIKey
XQLWNAFCTODIRK-UHFFFAOYSA-N- Molecular formula
- C28H40N2O5
- Average molar mass
- 484.6 g/mol
- Monoisotopic mass
- 484.29372238
Overview
Gallopamil is a member of benzenes and an organic amino compound.
Names & identifiers
- Preferred name
- Gallopamil
- IUPAC
- 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
- English name
- Methoxyverapamil hydrochloride
- Molecular formula
- C28H40N2O5
- Molecular weight
- 484.63
Names & synonyms
Gallopamil16662-47-8GalopamiloGallopamillumD600D 60039WPC8JHR8D-600LU-30-029DTXSID5045172Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4,5-trimethoxy-alpha-(1-methylethyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
Show more names
C13764dl-D 600(±Lu 30-029CoMpound D 600MethoxyverapamilZeatin Impurity 27D 600 (vasodilator)(+/-)-MethoxyverapamilGallopamil, 10 mM in DMSO
Elgiprona5-(2-(3,4-dimethoxyphenyl)ethyl-methyl-amino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrileBenzeneacetonitrile, alpha-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4,5-trimethoxy-alpha-(1-methylethyl)-(+-)-GallopamilHydrochloride, GallopamilRefChem:634116DTXCID3025172C08DA02
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 639
Experimental & physicochemical properties
DrugsPharmaceuticals
LogP3.71
Physicochemical properties
- Boiling point
- 605.9 · 605.9±55.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- refractive index
- 25 · nD25 1.5402
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/mL · DMSO: 100 mg/mL (206.34 mM)
- form
- White to off-white solid.
- pka
- 8.96 · 8.96±0.50(Predicted)
- color
- White to off-white
- InChI
- 1S/C28H40N2O5.ClH/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5;/h10-11,16-18,20H,9,12-15H2,1-8H3;1H
- InChIKey
- OKCRIUNHEQSXFD-UHFFFAOYSA-N
- SMILES
- Cl[H].COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationA class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >100
Applications
Uses(±)-Methoxyverapamil hydrochloride has been used: as calcium channel antagonist in Schistosoma mansoni parasiteas calcium entry blocker in cultured macrophagesin the inhibition of L-type voltage gated Ca2+-channels
General DescriptionMethoxyverapamil is a calmodulin antagonist. It controls flagellar glycoprotein redistribution by modulating calcium signalling. Methoxyverapamil impacts the effect of intracellular calcium levels and affects the sperm capacitation function.
Suppliers29 total
北京华美互利生物化工010-56205725 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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