Cannabinol

CBN · NSC 134455 · CANNABINOL · Cannabinol (CRM) · Cannabinol (CBN) · cannabinol solution · cannabinolmethanolsolution · Cannabinol (Alt. Batch CRM)

https://huagongshe.com/ko/chemical/2543

식별자 및 물리적 특성

CAS No.	521-35-7
분자식	C21H26O2
평균 분자량	310.4 g/mol
단동위원소 질량	310.19328007 g/mol
SMILES	CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIKey	VBGLYOIFKLUMQG-UHFFFAOYSA-N
PubChem CID	2543
ChEMBL	CHEMBL74415
ChEBI	CHEBI:3360
EC No.	689-788-0
DTXSID	DTXSID3048996

화학 및 물리적 성질

XLogP	6.1
극성 표면적	29.5
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	23
형식 전하	0
복잡도	391
물질 분류	Stimulant
의약품	DEA NFLIS-Drug Category -> CannabinoidsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
지질	Polyketides [PK] -> Aromatic polyketides [PK13] -> Other aromatic polyketides [PK1312]
Human Drugs	Pharmaceuticals
끓는 점	365 °F at 0.05 mmHg (NTP, 1992)bp0.05 185°
녹는점	169 to 171 °F (NTP, 1992)76-77°
Physical Description	Leaflets. (NTP, 1992)
Collision Cross Section	182.2 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated]
밀도	1.0865 (rough estimate)
굴절률	1.4900 (estimate)
인화점	11 °C
저장 조건	2-8°C
용해도	DMF: 50 mg/mlDMSO: 50 mg/mlDMSO: PBS(pH 7.2) (1:3): 0.25 mg/mlEthanol: 30 mg/mlMethanol: 30 mg/ml
pKa(산도 계수)	9.40±0.40(Predicted)
안정성	안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능	피부 컨디셔닝
InChI	1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
InChIKey	VBGLYOIFKLUMQG-UHFFFAOYSA-N
SMILES	CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
EPA	Cannabinol (521-35-7)

화학적 성질

thin platelets

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P273, 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 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
화재 위험	Flash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
반응성 그룹	Alcohols and Polyols
Reactivity Profile	CANNABINOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Air and Water Reactions	No rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories	Acute Tox. 4 (66.7%)
소화	Fires involving this compound should be controlled with dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
응급 처치	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
비화재 누출 대응	SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

용도

A metabolite of Tetrahydrocannabinol (T293200). A psychoactive substance cannabinoid that acts as a weak agonist of the CB1 and CB2 receptors.

일반 설명

Leaflets.