Diltiazem

Synonyms: diltiazem, "Cardizem", "d-cis-Diltiazem", "Dilticard", "Dilcontin", "Endrydil", "Anoheal", "Dilzen", "Acalix", "Dilta-Hexal", "Dilt-cd", "Incoril AP", "Diltiazemum", "Diltzac", "Tiamate", "Tiazac", "Dilren", "Cardil", "Dilacor", "Adizem", "Dilacor-XR", "(+)-cis-diltiazem", "Diltiazen"

Source: Diltiazem is used clinically in an effort to prevent vasospasm.

Identifiers:

IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
CAS Number: 42399-41-7
PubChem ID: 39186
InChiKey: HSUGRBWQSSZJOP-RTWAWAEBSA-N
Canonical SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Structural Properties:

Molecular Formula: C₂₂H₂₆N₂O₄S
Molecular Weight: 414,500

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 6
Number of atoms different from hydrogen: 29

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Evidence Supporting This Chemical as an Emerging Contaminant

Du, B., Price, A. E., Scott, W. C., Kristofco, L. A., Ramirez, A. J., Chambliss, C. K., ... & Brooks, B. W. (2014). Comparison of contaminants of emerging concern removal, discharge, and water quality hazards among centralized and on-site wastewater treatment system effluents receiving common wastewater influent. Science of the Total environment, 466, 976-984.

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