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플루스피릴렌

Fluspirilene

HCID 3396
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1841-19-6
표준 SMILES
O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIKey
QOYHHIBFXOOADH-UHFFFAOYSA-N
분자식
C29H31F2N3O
평균 분자량
475.6 g/mol
단동위원소 질량
475.24351894

개요

8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is a diarylmethane.

이름 및 식별자

우선 이름
Fluspirilene
IUPAC
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
현지명
플루스피릴렌
영어명
FLUSPIRILENE
분자식
C29H31F2N3O
분자량
475.57

이름 및 동의어

Fluspirilene1841-19-6RedeptinImapFluspirilenoMcN-JR-62188-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneR 6218FluspirilenumDTXSID7045152R-6218C5QA4GLR9M
이름 더 보기
플루스피릴렌FluspirilenFluspirilene CRSFluspirilene (R 6218FLUSPIRILENE USP/EP/BPParoxetine EP IMpurity C
8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro-(4.5)decan-4-one1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-SpirodiflamineDTXCID50251521,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-Beta, Fluspirilen8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one

데이터베이스 식별자

CAS
1841-19-6
PubChem CID
3396
DTXSID
DTXSID7045152
ChEMBL
CHEMBL46516
ChEBI

물성

구조 계산 물성

XLogP
5.6
극성 표면적
35.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
7
무거운 원자 수
35
형식 전하
0
복잡도
653

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Nervous system -> Antipsychotics

LogP · 2건

5.86

5.86

Solubility1.67e-03 g/L
Melting Point187.5-190
Physical DescriptionSolid
Dissociation Constants · 2건

8.66

7.7

물리화학적 성질

녹는점
187.5 · 187.5-190°
끓는 점
668.9 · 668.9±55.0 °C(Predicted)
밀도
1.1634 · 1.1634 (estimate)
저장 조건
room temp
용해도
DMSO: 용해될 수 있다
물리적 상태
무정형 고체
산도 계수 (pKa)
15.05 · 15.05±0.20(Predicted)
색상
흰색에서 노란색으로
InChIKey
QOYHHIBFXOOADH-UHFFFAOYSA-N

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, 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.

유해성 정보

Other Safety InformationIMAP assessments - 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)

독성 정보

Drug Induced Liver Injury · 5건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

fluspirilene

DILI Positive

Intramuscular

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

wgk
3
rtecs
XX8750000
ridadr
3249
독성
LD50 i.m. in rats: 146 ±14 mg/kg (Janssen)
포장분류
III
위험 등급
6.1(b)
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 3건

N05AG01

N - Nervous system

QN - Nervous system

Pharmacodynamics · 1건

Fluspirilene is a relatively long-acting injectable depot antipsychotic drug used for schizophrenia. Fluspirilene does not differ greatly from other depot antipsychotics (fluphenazine decanoate, fluphenazine enathate, perphenazine onanthat, pipotiazine undecylenate) with respect to treatment efficacy, response or tolerability. Outcomes suggest that fluspirilene does not differ significantly from oral antipsychotics or in different weekly regimens, although much cannot be inferred because of the shortage of trials.

MeSH Pharmacological Classification · 2건

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.

Cellular LocationsMembrane
응용 분야 · 2건

개요Fluspirilene is a potent, non-competitive antagonist of agonist-activated L-type calcium channels (IC50 = 0.03 μM). In addition to its use in research as a calcium channel blocker, fluspirilene has potential application as an antipsychotic in schizophrenia.

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
CHEBI:93369
UNII
C5QA4GLR9M
EC Number
217-418-6
Nikkaji
J7.791G
SMILES
Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5

화학적 성질

White or almost white powder.

용도Fluspirilene has been used as a neuroleptic drug to study its effects on human ether-a-go-go related gene (HERG).

상·하류 제품 정보

상류 원료

염화 티오닐수소1,1'-(4-브로모부틸리덴)비스[4-플루오로벤젠]1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)-3-buten-1-yl]-1-phenyl-1-페닐-1,3,8-트리아자스피로[4.5]디칸-4-온

공급사47 곳

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