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Molindone

HCID 23897
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
7416-34-4
표준 SMILES
CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
InChIKey
KLPWJLBORRMFGK-UHFFFAOYSA-N
분자식
C16H24N2O2
평균 분자량
276.37 g/mol
단동위원소 질량
276.18377801

개요

Molindone is a member of indoles.

이름 및 식별자

우선 이름
Molindone
IUPAC
3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
영어명
3-Ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
분자식
C16H24N2O2
분자량
276.37

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

CAS

물성

구조 계산 물성

XLogP
1.7
극성 표면적
45.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
20
형식 전하
0
복잡도
354

실험 및 물리화학적 성질

LogP1.54
Color/FormCRYSTALS
Solubility · 2건

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

4.74e-01 g/L

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

180-181 °C

180.5 °C

Physical DescriptionSolid

물리화학적 성질

녹는점
180 · 180-181°
끓는 점
462.9 · 462.9±45.0 °C(Predicted)
밀도
1.14 · 1.140±0.06 g/cm3(Predicted)
용해도
2 O: · H2O: 19 mg/mL
물리적 상태
고체
산도 계수 (pKa)
6.9 · pKa 6.9(H2O,t =25,I=0.2) (Uncertain)
색상
회백색
NIST
-4 · Indol-4(5h)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-(7416-34-4)

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]

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.

유해성 정보

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%)

독성 정보

Hepatotoxicity · 1건

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 · 5건

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/

화학 및 산업

약리 정보

ATC Code · 2건

N - Nervous system

QN - Nervous system

Pharmacodynamics · 1건

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 · 3건

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 · 4건

RT3Y3QMF8N

MOLINDONE

Established Pharmacologic Class [EPC] - Typical Antipsychotic

Molindone is a Typical Antipsychotic.

MeSH Pharmacological Classification · 1건

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.

관련 반응

4건
반응 기록 만들기
HRID 674873 반응식
HRID 674873생성물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1851642 반응식
HRID 1851642생성물로uspto-grants-2015_02
HRID 1851644 반응식
HRID 1851644생성물로uspto-grants-2015_02
HRID 1851646 반응식
HRID 1851646생성물로uspto-grants-2015_02

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
7416-34-4
PubChem CID
23897
DTXSID
DTXSID9023332
ChEMBL
CHEMBL460
ChEBI
CHEBI:6965
UNII
RT3Y3QMF8N
EC Number
819-661-9
Nikkaji
J8.932J

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 · 5건

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

안전 데이터

wgk
3
rtecs
NM3325000
ridadr
UN 2811 6.1/PG 3
risk_code
22
hazard_code
Xn
유해 물질 데이터
7416-34-4(Hazardous Substances Data)
Absorption, Distribution and Excretion · 3건

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

용도 및 제조

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).

응용 분야

용도Antipsychotic.

상·하류 제품 정보

상류 원료

디에틸케톤Para-포름알데하이드메틸 니트리트4,4'-설포닐다이페놀염화모르폴리늄

공급사17 곳

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]