11-Nor-9-carboxy-delta9-tetrahydrocannabinol
Grundinformationen
- CAS
104874-50-2- Standard-SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O)=C[C@@H]21- InChIKey
YOVRGSHRZRJTLZ-HZPDHXFCSA-N- Summenformel
- C21H28O4
- Durchschnittliche Molmasse
- 344,4 g/mol
- Monoisotopische Masse
- 344,19875937
Überblick
11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol is a phytocannabinoid that is 9-tetrahydrocannabinol in which the C-11 methyl has been fully oxidised to a carboxy group. Further enzymatic oxidation product of 11-hydroxy-9-tetrahydrocannabinol. It has a role as a human xenobiotic metabolite. It is functionally related to a Delta(9)-tetrahydrocannabinol.
Namen und Bezeichner
- Bevorzugter Name
- 11-Nor-9-carboxy-delta9-tetrahydrocannabinol
- IUPAC
- (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
- Englischer Name
- (-)-11-NOR-9-CARBOXY-DELTA9-THC
- Summenformel
- C21H28O4
- Molmasse
- 344.44
Namen und Synonyme
56354-06-411-Nor-9-carboxy-delta-9-tetrahydrocannabinolTHC-COOH4TPC9E4A32CHEBI:7727311-Nor-9-carboxy-delta(9)-tetrahydrocannabinol11-nor-9-carboxy-delta9-tetrahydrocannabinolDTXSID202049076H-Dibenzo(b,d)pyran-9-carboxylic acid, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-, (6aR,10aR)-RefChem:437265DTXCID10127398104874-50-2
Weitere Namen anzeigen
Ncthc(-)-11-Nor-9-Carboxy-Δ9-THC(-)-11-NOR-9-CARBOXY-DELTA9-THC(-)-trans-11-Nor-9-carboxy-Δ9-THC(?)-11-nor-9-carboxy-Δ9-THC (CRM)Δ1-Tetrahydrocannabinol-7-oic acid()-11-nor-9-carboxy-Δ9-THC (solution)11-NOR-D9-TETRAHYDROCANNABINOL-9- CARBOX11-Nor-9-carboxy-Δ9-tetrahydrocannibinol
(+/-)-11-Nor-9-carboxy-delta9-thc(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid(-)-11-Nor-9-carboxy-.DELTA.9-THC(-)-11-Nor-delta-9-THC carboxylic acid(+/-)-11-Nor-delta-9-THCcarboxylic acidUNII-4TPC9E4A3211-Nor-9-carboxy-Delta9-THC(?)-11-nor-9-carboxy-?9-THC (CRM)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,3
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 524
Experimentelle und physikochemische Eigenschaften
Chemical ClassesStimulant
DrugsDEA NFLIS-Drug Category -> Cannabinoids
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 206 · 206-209 °C
- Siedepunkt
- 466.9 · 466.9±45.0 °C(Predicted)
- Dichte
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- Flammpunkt
- 11 °C · 11 °C
- storage temp.
- 20 °C · −20°C
- Aggregatzustand
- vacuum-dried powder
- pka
- 4.66 · 4.66±0.40(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1230 3/PG 2
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 16-36/37-45-7
Chemie und Industrie
Anwendungen
VerwendenA metabolite of Tetrahydrocannabinol (T293200). Controlled substance.
Ergänzende Hinweise
DefinitionChEBI: A phytocannabinoid that is Delta9-tetrahydrocannabinol in which the C-11 methyl has been fully oxidised to a carboxy group. Further enzymatic oxidation product of 11-hydroxy-Delta9-tet ahydrocannabinol.
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