Etilefrine

Synonyms: Etilefrine, "Etilefrin", "Effortil", "Ethylphenylephrine", "Ethyladrianol", "Ethyl noradrianol", "N-Ethylnorphenylephrine", "Racemic etilefrine", "3-[2-(Ethylamino)-1-hydroxyethyl]phenol", "m-Hydroxyphenylethanolethylamine", "Thomasin", "1-(3'-Hydroxyphenyl)-2-ethylaminoethanol", "1-(3-Hydroxyphenyl)-2-(ethylamino)ethanol"

Source: Etilefrine is a sympathomimetic drug used to treat postural hypotension.

Identifiers:

IUPAC Name: 3-[2-(ethylamino)-1-hydroxyethyl]phenol
CAS Number: 709-55-7
PubChem ID: 3306
InChiKey: SQVIAVUSQAWMKL-UHFFFAOYSA-N
Canonical SMILES: CCNCC(C1=CC(=CC=C1)O)O

Structural Properties:

Molecular Formula: C₁₀H₁₅NO₂
Molecular Weight: 181,230

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 3
Number of atoms different from hydrogen: 13

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Evidence Supporting This Chemical as an Emerging Contaminant

Rimayi, C., Odusanya, D., Weiss, J. M., de Boer, J., & Chimuka, L. (2018). Contaminants of emerging concern in the Hartbeespoort Dam catchment and the uMngeni River estuary 2016 pollution incident, South Africa. Science of the Total Environment, 627, 1008-1017.

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