crotamiton

Synonyms: "crotamiton", "N-Ethyl-o-crotonotoluidide", "Crotamitone", "Eurax", "Veteusan", "Crotalgin", "Euraxil", "Eurasil", "trans-Crotamiton", "Crotamitonum", "Crotamitex", "Crotan", "Crotonyl-N-ethyl-o-toluidine", "N-Ethyl-N-(2-methylphenyl)-2-butenamide"

Source: Crotamiton is a drug that is used both as a scabicidal and as a general antipruritic.

Identifiers:

IUPAC Name: (E)-N-ethyl-N-(2-methylphenyl)but-2-enamide
CAS Number: 483-63-6
PubChem ID: 688020
InChiKey: DNTGGZPQPQTDQF-XBXARRHUSA-N
Canonical SMILES: CCN(C1=CC=CC=C1C)C(=O)C=CC

Structural Properties:

Molecular Formula: C₁₃H₁₇NO
Molecular Weight: 203.28

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 15

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Evidence Supporting This Chemical as an Emerging Contaminant

Tran, N. H., Reinhard, M., Khan, E., Chen, H., Nguyen, V. T., Li, Y., ... & Gin, K. Y. H. (2019). Emerging contaminants in wastewater, stormwater runoff, and surface water: Application as chemical markers for diffuse sources. Science of the Total Environment, 676, 252-267.

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