carbendazim

Synonyms: mecarzole, "carbendazole", "bavistin", "carbendazime", "bavistan", "carbendazol", "medamine", "thicoper", "derosal"

Source: carbendazim is a broad-spectrum systemic fungicide with protective and curative action. It is used for the control of a wide range of fungal diseases such as spot, powdery mildew, corch, rot and blight, among others.

Identifiers:

IUPAC Name: methyl N-(1H-benzimidazol-2-yl)carbamate
CAS Number: 10605-21-7
PubChem ID: 25429
InChiKey: TWFZGCMQGLPBSX-UHFFFAOYSA-N
Canonical SMILES: COC(=O)NC1=NC2=CC=CC=C2N1

Structural Properties:

Molecular Formula: C₉H₉N₃O₂
Molecular Weight: 191.19

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 14

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Evidence Supporting This Chemical as an Emerging Contaminant

Osorio, V., Schriks, M., Vughs, D., de Voogt, P., Kolkman, A. (2018). A novel sample preparation procedure for effect-directed analysis of micro-contaminants of emerging concern in surface waters. Talanta 186, 527?537.

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2D-structure

3D-structure