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Cannabigerolic Acid
CBGA · cannabigerolicaci · cannabigerolic acid · (E)-Cannabigerolic Acid · Cannabigerolic Acid (CRM) · Cannabigerolic acid (CBGA) · Cannabigerolic acid solution · Cannabigerolic Acid (Alt. Batch CRM)
Identifikatoren & physikalische Daten
| CAS No. | 25555-57-1 |
|---|---|
| Summenformel | C22H32O4 |
| Durchschnittliche Molmasse | 360,5 g/mol |
| Monoisotopische Masse | 360,2300595 g/mol |
| SMILES | CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O |
| InChIKey | SEEZIOZEUUMJME-FOWTUZBSSA-N |
| PubChem CID | 6449999 |
| ChEMBL | CHEMBL463843 |
| ChEBI | CHEBI:67081 |
| EC No. | 950-268-6 |
| DTXSID | DTXSID401315426 |
Chemische & physikalische Eigenschaften
| XLogP | 7,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 490 |
| Arzneimittel | DEA NFLIS-Drug Category -> Cannabinoids |
| Lipide | Polyketides [PK] -> Aromatic polyketides [PK13] -> Other aromatic polyketides [PK1312] |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 535.7±50.0 °C(Predicted) |
| Dichte | 1.082±0.06 g/cm3(Predicted) |
| Flammpunkt | 9℃ |
| Lagerbedingungen | -70°C |
| pKa (Säurekonstante) | 3.42±0.43(Predicted) |
| Aggregatzustand | A neat solid |
| Hauptanwendungen | cannabis testingcannabis testing |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - MISCELLANEOUS |
| InChI | 1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12+ |
| InChIKey | SEEZIOZEUUMJME-FOWTUZBSSA-N |
| SMILES | Oc1c(c(cc(c1C(=O)O)CCCCC)O)C\C=C(\CCC=C(C)C)/C |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 04-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32802 |
| Hazard Classes and Categories | Acute Tox. 4 (40%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 1648 3 / PGII |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
Anwendungen & Verwendung
Verwenden
cannabigerolic acid (CBGA), a major biosynthetic precursor molecule in cannabis,exhibits divergent effects on seizures in mouse models of epilepsy. CBGA is generated from geranyl pyrophosphate and olivetolic acid by Cannabis sativaprenyltransferase (CsPT4).