11-Nor-9-carboxy-delta-9-tetrahydrocannabinol

Synonyms: 11-Nor-9-carboxy-delta-9-tetrahydrocannabinol, "THC-COOH", "Thc-11-oic acid", "(-)-11-Nor-9-Carboxy-delta9-THC", "DL-11-nor-9-carboxy-delta-9-THC", "11-Nor-9-carboxy-thc", "(6ar,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic acid"

Source: 11-Nor-9-carboxy-delta-9-tetrahydrocannabinol is the main secondary metabolite of tetrahydrocannabinol.

Identifiers:

IUPAC Name: (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
CAS Number: 56354-06-4
PubChem ID: 108207
InChiKey: YOVRGSHRZRJTLZ-HZPDHXFCSA-N
Canonical SMILES: CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O

Structural Properties:

Molecular Formula: C₂₁H₂₈O₄
Molecular Weight: 344,400

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 25

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Evidence Supporting This Chemical as an Emerging Contaminant

Riva, F., Castiglioni, S., Fattore, E., Manenti, A., Davoli, E., & Zuccato, E. (2018). Monitoring emerging contaminants in the drinking water of Milan and assessment of the human risk. International journal of hygiene and environmental health, 221(3), 451-457.

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2D-structure

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