Dicyclomine

Synonyms: dicyclomine, "Dicycloverin", "Dicycloverine", "Bentyl", "Bentylol", "Dicicloverina", "Wyovin", "Diocyl", "Di-syntramine", "Dicycloverinum", "Merbentyl", "Bentyl hydrochloride", "Procyclomin", "Sawamin", "Mamiesan", "Bentomine", "Atumin", "Dyspas", "Bentylol hydrochloride", "Oxityl-P", "Wyovin hydrochloride", "Diocyl hydrochloride", "Kolantyl hydrochloride", "Dicycloverin hydrochloride", "[1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester"

Source: Dicyclomine is a smooth muscle antispasmodic.

Identifiers:

IUPAC Name: 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
CAS Number: 77-19-0
PubChem ID: 3042
InChiKey: CURUTKGFNZGFSE-UHFFFAOYSA-N
Canonical SMILES: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2

Structural Properties:

Molecular Formula: C₁₉H₃₅NO₂
Molecular Weight: 309,500

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 22

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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

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2D-structure

3D-structure