Norverapamil

Synonyms: Norverapamil, "2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-isopropylpentanenitrile", "alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile", "5-((3,4-Dimethoxyphenethyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile"

Source: Norverapamil is a primary urinary metabolite of verapamil.

Identifiers:

IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile
CAS Number: 67018-85-3
PubChem ID: 104972
InChiKey: UPKQNCPKPOLASS-UHFFFAOYSA-N
Canonical SMILES: CC(C)C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

Structural Properties:

Molecular Formula: C₂₆H₃₆N₂O₄
Molecular Weight: 440,600

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 6
Number of atoms different from hydrogen: 32

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Evidence Supporting This Chemical as an Emerging Contaminant

Estrada-Arriaga, E. B., Cort?s-Mu?oz, J. E., Gonz?lez-Herrera, A., Calder?n-M?lgora, C. G., de Lourdes Rivera-Huerta, M., Ram?rez-Camperos, E., ... & Mart?n-Dom?nguez, A. (2016). Assessment of full-scale biological nutrient removal systems upgraded with physico-chemical processes for the removal of emerging pollutants present in wastewaters from Mexico. Science of the Total Environment, 571, 1172-1182.

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