Verapamil Ethyl Methanethiosulfonate, Bromide
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Basic information
- CAS
353270-25-4- Standard SMILES
COc1ccc(CC[N+](C)(CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)CCSS(C)(=O)=O)cc1OC.[Br-]- InChIKey
BVUKZMOMCQMWEQ-UHFFFAOYSA-M- Molecular formula
- C30H45BrN2O6S2
- Average molar mass
- 673.7 g/mol
- Monoisotopic mass
- 672.19024
Names & identifiers
- Preferred name
- Verapamil Ethyl Methanethiosulfonate, Bromide
- IUPAC
- [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-(2-methylsulfonylsulfanylethyl)azanium bromide
- English name
- VERAPAMILETHYL METHANETHIOSULFONATE, BROMIDE
- Molecular formula
- C30H45BrN2O6S2
- Molecular weight
- 673.72
Names & synonyms
Verapamil Ethyl Methanethiosulfonate, Bromide353270-25-4[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-(2-methylsulfonylsulfanylethyl)azanium;bromideVERAPAMILETHYL METHANETHIOSULFONATE, BROMIDEC30H45BrN2O6S2DTXSID70676195MFCD02683412AKOS030255923[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-(2-methylsulfonylsulfanylethyl)ammonium;bromide4-Cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-{2-[(methanesulfonyl)sulfanyl]ethyl}-N,5-dimethylhexan-1-aminium bromideVerapamil Ethyl Methanethiosulfonateδ-Cyano-N-[2-(3,4-diMethoxyphenyl)ethyl]-3,4-diMethoxy-N-Methyl-δ-(1-Methylethyl)-N-[2-[(Methylsulfonyl)thio]ethyl]benzenebutanaMiniuM BroMide
Show more names
d-Cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methyl-d-(1-methylethyl)-N-[2-[(methylsulfonyl)thio]ethyl]benzenebutanaminium Bromide
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 904
Physicochemical properties
- Melting point
- 105 · 105-110°C (foaming)
- storage temp.
- Amber Vial, Refrigerator, Under Inert Atmosphere
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly)
- form
- Solid
- color
- White to Off-White
- CAS DataBase Reference
- 353270 · 353270-25-4
Chemistry & industry
Applications
UsesAn analog of Verapamil. P Glycoprotein drug binding domain verapamil methanethiosulfonate. Useful for mapping the pore region of L-type calcium channels and Kv1.3 potassium channels.
UsesVerapaMil Ethyl Methanethiosulfonate BroMide is an analog of Verapamil. P Glycoprotein drug binding domain verapamil methanethiosulfonate. It is useful for mapping the pore region of L-type calcium channels and Kv1.3 potassium channels.
Related reactions
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Compound notes
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