칸나비게롤산
칸나비게롤산 · CBGA · cannabigerolicaci · cannabigerolic acid · (E)-Cannabigerolic Acid · Cannabigerolic Acid (CRM) · Cannabigerolic acid (CBGA) · Cannabigerolic acid solution
식별자 및 물리적 특성
| CAS No. | 25555-57-1 |
|---|---|
| 분자식 | C22H32O4 |
| 평균 분자량 | 360.5 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 칸나비게롤산 |
화학 및 물리적 성질
| XLogP | 7.5 |
|---|---|
| 극성 표면적 | 77.8 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 26 |
| 형식 전하 | 0 |
| 복잡도 | 490 |
| 의약품 | DEA NFLIS-Drug Category -> Cannabinoids |
| 지질 | Polyketides [PK] -> Aromatic polyketides [PK13] -> Other aromatic polyketides [PK1312] |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 끓는 점 | 535.7±50.0 °C(Predicted) |
| 밀도 | 1.082±0.06 g/cm3(Predicted) |
| 인화점 | 9℃ |
| 저장 조건 | -70°C |
| pKa(산도 계수) | 3.42±0.43(Predicted) |
| 물리적 상태 | A neat solid |
| 주요 응용 | 대마초 검사대마초 검사 |
| 화장품 원료 기능 | 피부 컨디셔닝 - 기타 |
| 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 |
화학적 성질
white to slightly yellowish crystalline powder.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Status: Active Update: 04-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32802 |
| Hazard Classes and Categories | Acute Tox. 4 (40%) |
| 수질 위해 등급(WGK) | 2 |
| 운송 번호(UN) | UN 1648 3 / PGII |
| 위험 등급 | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
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).
일반 설명
A non-psychoactive cannabinoid, cannabigerolic acid (CBGA), is the precursor to THCA, CBDA, and CBCA cannabinoids in Cannabis. Cannabigerolic acid reportedly has efficacy in treatment of cancer and schizophrenia. This Certified Spiking Solution is suitable for CBGA testing methods by HPLC, LC/MS, or GC/MS for applications in testing of Cannabis potency or impurity profiling, pharmaceutical research, and forensic analysis. Cerilliant solution Certified Reference Materials (CRMs) of cannabinoids are supplied in a convenient, quantitative, US DEA-exempt solution format and with TK#s for Canadian customers.