기본 정보
- CAS
29074-38-2- 표준 SMILES
COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4- InChIKey
VZTUIEROBZXUFA-UHFFFAOYSA-N- 분자식
- C20H21NO4
- 평균 분자량
- 339.4 g/mol
- 단동위원소 질량
- 339.14705815
개요
Canadine is a berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10. It is a berberine alkaloid, an aromatic ether, an oxacycle and an organic heteropentacyclic compound.
이름 및 식별자
- 우선 이름
- (+-)-Tetrahydroberberine
- IUPAC
- 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
- 현지명
- 테트라하이드로버린
- 영어명
- TETRAHYDROBERBERINE
- 분자식
- C20H21NO4
- 분자량
- 339.39
이름 및 동의어
Canadine522-97-4XanthopuccineCanadindl-TetrahydroberberineDTXSID5022724V2SSH085X89,10-Dimethoxy-2,3-(methylenedioxy)berbineNSC-36351NSC-94918DTXCID80272416,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
이름 더 보기
테트라하이드로버린THBNsc36351(+-)-hoxyAKOS 213-56(+-)-canadinCanadine (DL-)10-dimethoxy-2,3-(methylenedioxy)-(+-)-berbinbenzo(g)-1,3-benzodioxolo(5,6-a)quinolizine,5,8,13,13a-tetrahydro-9,10-dimet
CHEBI:229985,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine(+-)-Tetrahydroberberine16,17-dimethoxy-5,7-dioxa-13-azapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-2,4(8),9,15(20),16,18-hexaeneRefChem:573702208-338-2Tetrahydroberberinedl-Canadine
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 40.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 488
실험 및 물리화학적 성질
Solubility2.1 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 172 ° · 172° (Spth, Julian), also reported as 163-165° (Cushman, Dekon)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 10 mg/mL, · DMSO: >10mg/mL, 가용성
- 물리적 상태
- 고체
- 색상
- 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
안전 데이터
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
공급사100 곳
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…