基本情報
- CAS
17411-19-7- 標準SMILES
Cc1ccc2c(c1)C1CN(C)CCC1N2- InChIKey
CYJQCYXRNNCURD-UHFFFAOYSA-N- 分子式
- C13H18N2
- 平均分子量
- 202.3 g/mol
- 単同位体質量
- 202.14699858
概要
minor descriptor (77-84); on-line & Index Medicus search CARBOLINES (77-84); RN given refers to parent cpd without isomeric designation
名称と識別子
- 優先名称
- Dicarbine
- IUPAC
- 2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
- 現地名
- 2,3,4,4a,5,9b-ヘキサヒドロ-2,8-ジメチル-1H-ピリド[4,3-b]インドール
- 英語名
- Dicarbine
- 分子式
- C13H18N2
- 分子量
- 202.3
名称と別名
Dicarbine17411-19-7DicarbinaDicarbinumDTXSID0046193Y0EA50IJ3V2,3,4,4a,5,9b-Hexahydro-2,8-dimethyl-1H-pyrido(4,3-b)indoleDTXCID80261931H-Pyrido(4,3-b)indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-2,3,4,4a,5,9b-Hexahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole1H-Pyrido[4,3-b]indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-RefChem:132989
名称をさらに表示
ジカルビン2,3,4,4a,5,9b-ヘキサヒドロ-2,8-ジメチル-1H-ピリド[4,3-b]インドール2,8-ジメチル-1H,2H,3H,4H,4aH,5H,9bH-ピリド[4,3-b]インドール
DP 101312,8-Dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indoleDicarbine [INN]2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indoleDicarbinum [INN-Latin]Dicarbina [INN-Spanish]F1176-0001251646-41-0
データベース識別子
- CAS
17411-19-7、75494-88-1- PubChem CID
- 65684
- DTXSID
DTXSID0046193
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 15.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 241
物理化学的性質
- 沸点
- 305.7 · 305.7±42.0 °C(Predicted)
- 比重(密度)
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 9.58 · 9.58±0.20(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H315
化学と産業
薬理情報
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.
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.
応用分野
使用Pharmaceutic aid (plasticizer).
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関連反応
3 件
化合物ノート
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