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

モリンドン

Molindone

HCID 23897
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
部分構造検索類似構造を探す

基本情報

CAS
7416-34-4
標準SMILES
CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
InChIKey
KLPWJLBORRMFGK-UHFFFAOYSA-N
分子式
C16H24N2O2
平均分子量
276.37 g/mol
単同位体質量
276.18377801

概要

Molindone is a member of indoles.

名称と識別子

優先名称
Molindone
IUPAC
3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
現地名
モリンドン
英語名
3-Ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
分子式
C16H24N2O2
分子量
276.37

名称と別名

MOLINDONE7416-34-4(+-)-MolindoneMolindona3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-oneMolindonumRT3Y3QMF8N3-Ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)indol-4(5H)-one3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-4-oneIndol-4(5H)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-3-Ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-4H-indol-4-oneDTXSID9023332
名称をさらに表示
モリンドン3-エチル-1,5,6,7-テトラヒドロ-2-メチル-5-(4-モルホリニルメチル)-4H-インドール-4-オン3-エチル-2-メチル-5-[(モルホリン-4-イル)メチル]-4,5,6,7-テトラヒドロ-1H-インドール-4-オンC07230EN-1733AEOS-60951Molintoneindol-4(5h)-oneMOLINDONE USP/EP/BP3-Ethyl-2-Methyl-5-(Morpholin-4-ylMethyl)-1,5,6,7-
4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-RefChem:56582DTXCID603332N05AE02819-661-9Molindonum [INN-Latin]Molindona [INN-Spanish](+/-)-Molindone

データベース識別子

CAS
7416-34-4
PubChem CID
23897
DTXSID
DTXSID9023332
ChEMBL
CHEMBL460
ChEBI
CHEBI:6965
UNII
RT3Y3QMF8N
EC Number
819-661-9
Nikkaji
J8.932J

物性

構造計算による物性

XLogP
1.7
極性表面積
45.3 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
3
重原子数
20
形式電荷
0
複雑度
354

実験および物理化学的性質

LogP1.54
Color/FormCRYSTALS
Solubility · 2 件

WHITE CRYSTALLINE POWDER; FREELY SOL IN WATER & ALCOHOL /HYDROCHLORIDE/

4.74e-01 g/L

Human DrugsBreast Feeding; Lactation; Milk, Human; Antipsychotic Agents
Melting Point · 2 件

180-181 °C

180.5 °C

Physical DescriptionSolid

物理化学的性質

融点
180 · 180-181°
沸点
462.9 · 462.9±45.0 °C(Predicted)
比重(密度)
1.14 · 1.140±0.06 g/cm3(Predicted)
溶解性
2 O: · H2O: 19 mg/mL
外見
個体
酸解離定数(Pka)
6.9 · pKa 6.9(H2O,t =25,I=0.2) (Uncertain)
色
オフホワイト
CAS データベース
7416 · 7416-34-4(CAS DataBase Reference)
NISTの化学物質情報
-4 · Indol-4(5h)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-(7416-34-4)

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

Warning

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

P264, P270, P301+P317, P330, 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

Special ReportsOwen RR Jr, Cole JO; J Clin Psychopharmacol 9 (4): 268-76 (1989). Molindone hydrochloride: A review of laboratory and clinical findings
Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Hepatotoxicity · 1 件

Liver test abnormalities have been reported to occur in a small proportion of patients on long term therapy with molindone, but elevations are uncommonly above 3 times the upper limit of normal. The aminotransferase abnormalities are usually mild, asymptomatic and transient, reversing even with continuation of medication. Instances of clinically apparent acute liver injury have been reported due to molindone, but are rare. The onset of injury is within 4 to 8 weeks, and the pattern of serum enzyme elevations is typically hepatocellular. Jaundice is uncommon and most cases are self-limited and mild. Immunoallergic features and autoantibody formation are not typical.

Human Toxicity Excerpts · 5 件

TRANSIENT DROWSINESS IS MOST FREQUENT ADVERSE REACTION; PARKINSONIAN REACTIONS, RESTLESSNESS, INSOMNIA, DEPRESSION, BLURRED VISION, DRY MOUTH, NAUSEA & TACHYCARDIA OCCUR LESS FREQUENTLY. /HYDROCHLORIDE/

/IN ADDN TO PARKINSONIAN SYNDROME/, ANOTHER EXTRAPYRAMIDAL EFFECT SEEN DURING ANTIPSYCHOTIC DRUG THERAPY IS AKATHISIA. ... /IT/ REFERS TO COMPELLING NEED OF PT TO BE IN CONSTANT MOVEMENT RATHER THAN TO ANY SPECIFIC MOVEMENT PATTERN. ... /PT/ MAY BE UNABLE TO ... CONTROL /THIS EFFECT/. /ANTIPSYCHOTIC DRUGS/

ACUTE DYSTONIC REACTIONS ARE OCCASIONALLY SEEN WITH INITIATION OF ANTIPSYCHOTIC DRUG THERAPY. FACIAL GRIMACING & TORTICOLLIS CAN OCCUR & MAY BE ASSOCIATED WITH OCULOGYRIC CRISIS. /ANTIPSYCHOTIC DRUGS/

TARDIVE DYSKINESIA IS LATE-APPEARING NEUROLOGICAL SYNDROME ASSOCIATED WITH ANTIPSYCHOTIC DRUG USE. IT OCCURS MORE FREQUENTLY IN OLDER PT, & AN INCIDENCE AS HIGH AS 20% HAS BEEN REPORTED IN CHRONICALLY INSTITUTIONALIZED PT. IT MAY BE MORE COMMON IN FEMALES & THOSE WITH HISTORY OF PRIOR BRAIN DAMAGE. /ANTIPSYCHOTIC DRUGS/

For more Human Toxicity Excerpts (Complete) data for MOLINDONE (7 total), please visit the HSDB record page.

Drug Induced Liver Injury · 5 件

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Molindone

DILI Positive

Oral

DOI:10.1016/j.drudis.2019.09.022

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

安全データ

wgk
3
rtecs
NM3325000
ridadr
UN 2811 6.1/PG 3
risk_code
22
hazard_code
Xn
有毒物質データの
7416-34-4(Hazardous Substances Data)

化学と産業

薬理情報

ATC Code · 2 件

N - Nervous system

QN - Nervous system

Pharmacodynamics · 1 件

Molindone is a dihydroindolone compound which is not structurally related to the phenothiazines, the butyrophenones, or the thioxanthenes. Molindone has a pharmacological profile in laboratory animals which predominantly resembles that of major tranquilizers causing reduction of spontaneous locomotion and aggressiveness, suppression of a conditioned response and antagonism of the bizarre stereotyped behavior and hyperactivity induced by amphetamines. In addition, molindone antagonizes the depression caused by the tranquilizing agent tetrabenazine.

Mechanism of Action · 3 件

The exact mechanism has not been established, however, based on electroencephalogram (EEG) studies, molindone is thought to act by occupying (antagonizing) dopamine (D2) receptor sites in the reticular limbic systems in the brain, thus decreasing dopamine activity. Decreased dopamine activity results in decreased physiological effects normally induced by excessive dopamine stimulation, such as those typically seen in manifestations of psychotic disorders.

INFORMATION IS INADEQUATE TO DETERMINE SPECIFIC ACTIONS OF MOLINDONE...

THIS ANTIPSYCHOTIC AGENT IS A DIHYDROINDOLONE DERIV. IT IS NOT CHEM RELATED TO PHENOTHIAZINES, BUTYROPHENONES OR THIOXANTHENES, BUT PHARMACOLOGIC ACTIONS ARE SIMILAR TO THOSE OF PIPERAZINE PHENOTHIAZINES.

Metabolism/MetabolitesMost likely hepatic. 36 metabolites have been recognized, some of which may be active.
FDA Pharmacological Classification · 4 件

RT3Y3QMF8N

MOLINDONE

Established Pharmacologic Class [EPC] - Typical Antipsychotic

Molindone is a Typical Antipsychotic.

MeSH Pharmacological Classification · 1 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.

Absorption, Distribution and Excretion · 3 件

Rapidly absorbed from the gastrointestinal tract following oral administration.

Human metabolic studies show molindone to be rapidly absorbed and metabolized when given orally. There are 36 recognized metabolites with less than 2-3% unmetabolized molindone being excreted in urine and feces.

REACHES PEAK BLOOD LEVELS WITHIN 1 HR AFTER ORAL ADMIN.

Cellular LocationsMembrane

用途と製造

UsesMEDICATION
Methods of ManufacturingBELG PATENT 670,798 (1966 TO ENDO), CHEM ABSTRACT 65, 7148F (1966). PHARMACOLOGY: SUGERMAN, HERRMANN, CLIN PHARMACOL THER 8, 261 (1967); CLAGHORN, CURR THER RES 11, 524 (1969): GUERRERO-FIGUEROA ET AL, IBID 15, 508 (1973).
Formulations/PreparationsHYDROCHLORIDE ... /AS/ MOBAN (ENDO).

応用分野

使用Antipsychotic.

上流・下流製品情報

上流原料

3-ペンタノンパラホルムアルデヒド亜硝酸メチルビス(4-ヒドロキシフェニル)スルホンモルホリン塩酸塩

サプライヤー17 社

BOC Sciences1-631-485-4226; 16314854226 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
德州博腾精细化工有限公司[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [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]
重庆卡兰医药有限公司[email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]

関連反応

4 件
反応記録を作成
HRID 674873 の反応式
HRID 674873生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1851642 の反応式
HRID 1851642生成物としてuspto-grants-2015_02
HRID 1851644 の反応式
HRID 1851644生成物としてuspto-grants-2015_02
HRID 1851646 の反応式
HRID 1851646生成物としてuspto-grants-2015_02

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安全と法規制化学と産業関連反応化合物ノート