3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile
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![3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9a07ef3484f947b7b8a366df23e5c664.png "3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile")
3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile
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CAS No:
34245-14-2
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Formula:
C17H26N2O2
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Chemical Name:
3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-;Valeronitrile,2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(methylamino)-;3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile;1-Isopropyl-1-N-methylpropylamino-(3,4-dimethoxyphenyl)acetonitrile;2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)valeronitrile;D 617;N-Methyl-4-(3,4-dimethoxyphenyl)-4-cyano-5-methylhexylamine;2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrile;2-(3,4-Dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile;73980-39-9
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CAS No:
Description
D617 is a nitrile that is pentanenitrile substituted by a 3,4-dimethoxyphenyl group at position 2, a methylamino group at position 4 and an isopropyl group at position 2. It is a metabolite of the drug verapamil. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a dimethoxybenzene, a nitrile and a secondary amino compound.
3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile Basic Attributes
290.40100
290.40
251-895-1
C08DA01
2926909090
Drug Information
D617 is a known transformation product of Verapamil.
D-617 is a known human metabolite of Verapamil.
1-isopropyl-1-N-methylpropylamino-(3,4-dimethoxyphenyl)acetonitrile
3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile Use and Manufacturing
Pharmaceuticals -> Cardiovascular system -> Calcium channel blockers -> Selective calcium channel blockers with direct cardiac effects -> Phenylalkylamine derivatives -> Transformation products
Computed Properties
Molecular Weight:290.4
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:290.199428076
Monoisotopic Mass:290.199428076
Topological Polar Surface Area:54.3
Heavy Atom Count:21
Complexity:350
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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