HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
delta9-Tetrahydrocannabinolic acid
THCA-A · Tetrahydrocannabinols · Thc-9-cooh · 9-Carboxy-thc · THCA-A (CRM) · Dea no. 7370 · 9-Carboxy-delta(9)-thc · THCA-A (Alt. Batch CRM)
Identifikatoren & physikalische Daten
| CAS No. | 23978-85-0 |
|---|---|
| Summenformel | C22H30O4 |
| Durchschnittliche Molmasse | 358,5 g/mol |
| Monoisotopische Masse | 358,21440943 g/mol |
| SMILES | CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 |
| InChIKey | UCONUSSAWGCZMV-HZPDHXFCSA-N |
| PubChem CID | 98523 |
| ChEMBL | CHEMBL465718 |
| ChEBI | CHEBI:67078 |
| EC No. | 689-813-5 |
| DTXSID | DTXSID30178701 |
Chemische & physikalische Eigenschaften
| XLogP | 7 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 552 |
| Stoffklassen | Stimulant |
| Arzneimittel | Pharmaceuticals -> Illicit drugs |
| Human Drugs | Pharmaceuticals |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 70 °C (decomp) |
| Siedepunkt | 436.8±45.0 °C(Predicted) |
| Dichte | 1.112±0.06 g/cm3(Predicted) |
| Flammpunkt | 2℃ |
| Lagerbedingungen | -20°C |
| Löslichkeit | DMF: 50 mg/mlDMF:PBS (pH 7.2) (1:3): 0.25 mg/mlDMSO: 60 mg/mlEthanol: 35 mg/mlMethanol: 30 mg/ml |
| pKa (Säurekonstante) | 3.32±0.60(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1648 3 / PGII |
| DEA Controlled Substances | CSCN: 7370CAS SCH: I NARC: N |
Anwendungen & Verwendung
Verwenden
Delta9-Tetrahydrocannabinolic acid A solution (THCA-A) is a non-psychoactive acidic cannabinoid found in cannabis with anti-inflammatory, neuroprotective, and anticancer effects. It is also the precursor to the major psychoactive cannabinoid found in cannabis, known as Δ-9-tetrahydrocannabinol (Δ-9-THC). Δ9-Tetrahydrocannabinol (THC) is a quantitative analyte that can be used for oral fluid cannabinoid monitoring.THCA-A is available as a DEA-exempt preparation and is registered as a Canadian test kit. It is primarily used in chemical analysis studies and forensics.