기본 정보
- CAS
83002-04-4- 표준 SMILES
CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1- InChIKey
YNZFFALZMRAPHQ-SYYKKAFVSA-N- 분자식
- C24H40O3
- 평균 분자량
- 376.6 g/mol
- 단동위원소 질량
- 376.29774513
개요
2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Cannabimimetic agents substance.
이름 및 식별자
- 우선 이름
- CP-55940
- IUPAC
- 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
- 영어명
- CP 55940
- 분자식
- C24H40O3
- 분자량
- 376.57
이름 및 동의어
CP55940CP-55940CP55,940CP-55,9408YX8JK1BQGKFY70972J5CP 55,940J259.891DCP 559405-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenolPhenol, 5-(1,1-dimethylheptyl)-2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, rel-Phenol, 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, (1alpha,2beta,5alpha)-
이름 더 보기
3-(2-Hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
5-(1,1-Dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)phenolPhenol, 5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, rel-Phenol, 5-(1,1-dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, (1alpha,2beta,5alpha)-RefChem:5288952-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol83002-04-483003-12-7[3H]CP55940
데이터베이스 식별자
- CAS
83002-04-4、83003-12-7
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 408
실험 및 물리화학적 성질
DrugsDEA Schedule I Controlled Substance -> Cannabimimetic agents
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 494.4 · 494.4±45.0 °C(Predicted)
- 밀도
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 10.25 · 10.25±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
P261, P271, P304+P340, P319, P403+P233, 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.
유해성 정보
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesSTOT SE 3 (100%)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
공급사3 곳
池州凯隆进出口贸易有限公司[email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
ChemeGen 中国18818260767 · [email protected]
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