ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

(6aS)-11-クロロ-6,6aβ,7,8,9,13bα-ヘキサヒドロ-7-メチル-5H-ベンゾ[d]ナフト[2,1-b]アゼピン-12-オール

Ecopipam

HCID 107930
ノート反応
基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
112108-01-7
標準SMILES
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21
InChIKey
DMJWENQHWZZWDF-PKOBYXMFSA-N
分子式
C19H20ClNO
平均分子量
313.8 g/mol
単同位体質量
313.123342

概要

(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol is a benzazepine.

名称と識別子

優先名称
Ecopipam
IUPAC
(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
現地名
(6aS)-11-クロロ-6,6aβ,7,8,9,13bα-ヘキサヒドロ-7-メチル-5H-ベンゾ[d]ナフト[2,1-b]アゼピン-12-オール
英語名
Sch 39166
分子式
C19H20ClNO
分子量
313.82

名称と別名

Ecopipam112108-01-7Sch-39166Sch39166DTXSID80438140X748O646KDTXCID6023814(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol5H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, trans-(-)-ecopipamum(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo(d)naphtho(2,1-b)azepin-12-olRefChem:136266
名称をさらに表示
(6aS)-11-クロロ-6,6aβ,7,8,9,13bα-ヘキサヒドロ-7-メチル-5H-ベンゾ[d]ナフト[2,1-b]アゼピン-12-オール(6aβ,13bα)-11-クロロ-6,6a,7,8,9,13b-ヘキサヒドロ-7-メチル-5H-ベンゾ[d]ナフト[2,1-b]アゼピン-12-オールエコピパム(1R,11S)-5-クロロ-10-メチル-10-アザテトラシクロ[9.8.0.02,7.014,19]ノナデカ-2,4,6,14,16,18-ヘキサエン-4-オールSch 39166PSYRX 101Ecopipam-d4Unii-0X748o646k[13C6]-EcopipamECOPIPAM(6 AS,13 BR)-FORM6,7,7A,8,9,13B-Hexahydro-3-chloro-2-hydroxy-N-methyl-5H-benzo(D)naphtho(2,1B)azepine(6aS)-11-Chloro-6,6aβ,7,8,9,13bα-hexahydro-7-methyl-5H-benzo[d]naphth[2,1-b]azepin-12-ol

物性

構造計算による物性

XLogP
4.4
極性表面積
23.5 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
22
形式電荷
0
複雑度
403

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

沸点
451.9 · 451.9±45.0 °C(Predicted)
比重(密度)
1.22 · 1.220±0.06 g/cm3(Predicted)
酸解離定数(Pka)
8.73 · 8.73±0.20(Predicted)

化学と産業

薬理情報

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.

サプライヤー13 社

北京华美互利生物化工010-56205725 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
(1R,11S)-5-chloro-10-methyl-10-azatetracyclo(9.8.0.02,?.01?,1?)nonadeca-2,4,6,14,16,18-hexaen-4-olEcopipam [INN](6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-olPSYRX-101CHEMBL2984065H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, (6aS,13bR)-(-)-(6aS,13bR)-11-Chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-5H-benzo(d)naphth(2,1-b)azepin-12-olCAS-112108-01-7

データベース識別子

CAS
112108-01-7
PubChem CID
107930
DTXSID
DTXSID8043814
ChEMBL
CHEMBL298406
ChEBI
CHEBI:93645
UNII
0X748O646K
Nikkaji
J323.080E
16314854226; +8616314854226 · [email protected]
南京熠康达医药科技有限公司18118984557; 18118984557 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]