Gabapentin

Synonyms: gabapentin, "Neurontin", "Gabapentine", "1-(Aminomethyl)cyclohexaneacetic acid", "Aclonium", "Gabapentinum", "Gabapetin", "2-[1-(aminomethyl)cyclohexyl]acetic acid", "Gabapentino", "Fanatrex", "Serada", "2-(1-(aminomethyl)cyclohexyl)acetic acid", "gabapentina", "Gabapentin GR", "Goe-3450", "(1-Aminomethyl-cyclohexyl)-acetic acid".

Source: Gabapentin is an anticonvulsant medication.

Identifiers:

IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid
CAS Number: 60142-96-3
PubChem ID: 3446
InChiKey: UGJMXCAKCUNAIE-UHFFFAOYSA-N
Canonical SMILES: C1CCC(CC1)(CC(=O)O)CN

Structural Properties:

Molecular Formula: C₉H₁₇NO₂
Molecular Weight: 171.24

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 12

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Evidence Supporting This Chemical as an Emerging Contaminant

He, Y., Li, X., Jia, D., Zhang, W., Zhang, T., Yu, Y., ... & Zhang, Y. (2019). A transcriptomics-based analysis of the toxicity mechanisms of gabapentin to zebrafish embryos at realistic environmental concentrations.?Environmental Pollution,?251, 746-755.

Li, X., Zhou, S., Qian, Y., Xu, Z., Yu, Y., Xu, Y., ... & Zhang, Y. (2018). The assessment of the eco-toxicological effect of gabapentin on early development of zebrafish and its antioxidant system. RSC advances, 8(40), 22777-22784.

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