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Stobadine

HCID 108089
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
75494-88-1
표준 SMILES
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2
InChIKey
CYJQCYXRNNCURD-DGCLKSJQSA-N
분자식
C13H18N2
평균 분자량
202.3 g/mol
단동위원소 질량
202.14699858

이름 및 식별자

우선 이름
Stobadine
IUPAC
(4aR,9bS)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
영어명
1,2,3,4,4a,9a-Hexahydro-3,6-dimethyl-9H-pyrido[4,3-b]indole, dihydrochloride
분자식
C13H18N2
분자량
202.3

이름 및 동의어

Stobadine85202-17-1Stobadin(-)-stobadine(-)-stobadinUNII-F9NJ6MT0APSTOBADINE, (-)-1H-Pyrido(4,3-b)indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-, (4aR,9bS)-2,8-Dimethyl-2,3,4,4aR,5,9bS-hexahydro-1H-pyrido(4,3-b)indoleCIS(-)-2,3,4,4A,5,9B-HEXAHYDRO-2,8-DIMETHYL-PYRIDO(4,3-B)INDOLERefChem:185797dicarbine, (cis)-(-)-isomer
이름 더 보기
AKOS B006591(-)-StopadinART-CHEM-BB B006591TIMTEC-BB SBB0016482,8-DIMETHYL-2,3,4,4A,5,9B-HEXAHYDRO-1 H-PYRIDO[4,3-B ]INDOLE1H-Pyrido[4,3-b]indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-, (4aR,9bS)-
251646-41-0(4ar,9bs)-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1h-pyrido[4,3-b]indole(4aR,9bS)-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-1H-Pyrido[4,3-b]indoleF9NJ6MT0AP75494-88-1(4aR,9bS)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indolecis-2,8-Dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole(4AR,9BS)-2,8-DIMETHYL-1H,2H,3H,4H,4AH,5H,9BH-PYRIDO[4,3-B]INDOLE

데이터베이스 식별자

CAS
75494-88-1、85202-17-1
PubChem CID
108089
DTXSID
DTXSID201338826
ChEMBL
CHEMBL479176
UNII
F9NJ6MT0AP
EC Number
963-322-9
Nikkaji
J361.749A

물성

구조 계산 물성

XLogP
2.3
극성 표면적
15.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
15
형식 전하
0
복잡도
241

실험 및 물리화학적 성질

LogP1.6

물리화학적 성질

끓는 점
305.733 · 305.733±42.00 °C(Press: 760.00 Torr)(predicted)
밀도
1.044 · 1.044±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건
-20 °C · -20°C
용해도
100 mM · DMSO: >100mM
물리적 상태
고체
산도 계수 (pKa)
8.5 · 8.5 (pKa2)
색상
White to off-white

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 5건

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.

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

An agent that causes the production of physical defects in the developing embryo.

Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.

Agents that reduce the frequency or rate of spontaneous or induced mutations independently of the mechanism involved.

공급사4 곳

武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]

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