tetrahydrocannabinol

Synonyms: "Dronabinol", "Marinol", "delta9-Tetrahydrocannabinol", "delta9-THC", "Deltanyne", "Dronabinolum", "delta-9-tetrahydrocannabinol", "Abbott 40566", "delta-9-THC", "1-trans-delta-9-Tetrahydrocannabinol", "delta(sup 1)-Thc", "THC", "Namisol", "Dronabinolum [Latin]", "9-tetrahydrocannabinol", "delta(9)-Tetrahydrocannabinol", "delta(1)-Tetrahydrocannabinol", "(-)-delta9-trans-Tetrahydrocannabinol", "delta1-Tetrahydrocannabinol", "1-trans-delta9-Tetrahydrocannabinol", "delta(9)-Tetrahydrocannibinol"

Source: tetrahydrocannabinol is considered one of the most psychoactive components of marihuana.

Identifiers:

IUPAC Name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CAS Number: 03/08/1972
PubChem ID: 16078
InChiKey: CYQFCXCEBYINGO-IAGOWNOFSA-N
Canonical SMILES: CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O

Structural Properties:

Molecular Formula: C₂₁H₃₀O₂
Molecular Weight: 314.5

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 23

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Evidence Supporting This Chemical as an Emerging Contaminant

La Farre, M., P?rez, S., Kantiani, L., & Barcel?, D. (2008). Fate and toxicity of emerging pollutants, their metabolites and transformation products in the aquatic environment. TrAC Trends in Analytical Chemistry, 27(11), 991-1007.

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2D-structure

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