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2-アセチル-10-[2-(ジメチルアミノ)プロピル]-10H-フェノチアジン

Aceprometazine

HCID 26035
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
13461-01-3
標準SMILES
CC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChIKey
XLOQNFNTQIRSOX-UHFFFAOYSA-N
分子式
C19H22N2OS
平均分子量
326.5 g/mol
単同位体質量
326.1452845

概要

Aceprometazine is a phenothiazine compound having an acetyl group at the 2-position and a 2-(dimethylamino)-1-propyl group at the 10-position. It has a role as an anxiolytic drug, a sedative and a histamine antagonist. It is a tertiary amine, a member of phenothiazines, a methyl ketone and an aromatic ketone.

名称と識別子

優先名称
Aceprometazine
IUPAC
1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
現地名
2-アセチル-10-[2-(ジメチルアミノ)プロピル]-10H-フェノチアジン
英語名
aceprometazine
分子式
C19H22N2OS
分子量
326.46

名称と別名

AceprometazineAcepromethazine13461-01-3AceprometazinaAceprometazinum10-(2-(Dimethylamino)propyl)phenothiazin-2-yl methyl ketoneCB 1664984N9YTM4YCB-1664CHEBI:537701-(10-(2-(Dimethylamino)propyl)-10H-phenothiazin-2-yl)ethanoneDTXSID00864407
名称をさらに表示
1-[10-[2-(ジメチルアミノ)プロピル]-10H-フェノチアジン-2-イル]エタノン2-アセチル-10-[2-(ジメチルアミノ)プロピル]-10H-フェノチアジンアセプロメタジン1-{10-[2-(ジメチルアミノ)プロピル]-10H-フェノチアジン-2-イル}エタン-1-オン1-[10-[2-(Dimethylamino)propyl]-10H-phenothiazin-2-yl]ethanoneEthanone, 1-[10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl]-
1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone1-{10-[2-(DIMETHYLAMINO)PROPYL]-10H-PHENOTHIAZIN-2-YL}ETHAN-1-ONE1-(10-(2-(dimethylamino)propyl)-10H-phenothiazin-2-yl)ethan-1-oneRefChem:108764DTXCID00812928236-661-9Aceprometazinum [INN-Latin]Aceprometazina [INN-Spanish]

データベース識別子

CAS
13461-01-3

物性

構造計算による物性

XLogP
4.3
極性表面積
48.9 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
4
重原子数
23
形式電荷
0
複雑度
428

実験および物理化学的性質

Solubility1.22e-02 g/L
Physical DescriptionSolid

物理化学的性質

沸点
490.1 · 490.1±45.0 °C(Predicted)
比重(密度)
1.1075 · 1.1075 (rough estimate)
屈折率
1.595 · 1.5950 (estimate)
溶解性
Chloroform (Slightly), Methanol (Sparingly)
酸解離定数(Pka)
8.93 · 8.93±0.50(Predicted)
外見
液体

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 · 4 件

Danger

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

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

毒性
LD50 orl-mus: 517 mg/kg AAREAV 21,543,64

化学と産業

薬理情報

PharmacodynamicsAceprometazine is a drug with neuroleptic and anti-histamine properties. It is not widely prescribed.
Mechanism of ActionAceprometazine, acting as an H1-receptor antagonist can induce sedation by being able to cross the blood-brain-barrier and binding to H1-receptors in the central nervous system.
Metabolism/MetabolitesHepatic.
MeSH Pharmacological Classification · 2 件

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.

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.

Absorption, Distribution and ExcretionRapidly absorbed following oral administration.
Cellular LocationsMembrane

上流・下流製品情報

上流原料

1-(10H-フェノチアジン-2-イル)エタノン

関連反応

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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
PubChem CID
26035
DTXSID
DTXSID00864407
ChEMBL
CHEMBL2104054
ChEBI
CHEBI:53770
UNII
984N9YTM4Y
EC Number
236-661-9
Nikkaji
J269.443C
1-DIMETHYLAMINO-2-CHLOROPROPANE
水素化ナトリウム

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補足説明

定義ChEBI: A phenothiazine compound having an acetyl group at the 2-position and a 2-(dimethylamino)-1-propyl group at the 10-position.