스파이페론

Spiperone

HCID 5265CAS 749-02-0

기본 정보

표준 SMILES
O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1
InChIKey
DKGZKTPJOSAWFA-UHFFFAOYSA-N
분자식
C23H26FN3O2
평균 분자량
395.5 g/mol
단동위원소 질량
395.20090529

개요

Spiperone is an azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively. It has a role as a psychotropic drug, an antipsychotic agent, an alpha-adrenergic antagonist, a serotonergic antagonist and a dopaminergic antagonist. It is a member of piperidines, an azaspiro compound, an organofluorine compound, a tertiary amino compound and an aromatic ketone.

이름 및 식별자

우선 이름
Spiperone
IUPAC
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
현지명
스파이페론
영어명
SPIPERONE
분자식
C23H26FN3O2
분자량
395.47

이름 및 동의어

spiperone749-02-0SpiropitanSpiroperidolEspiperonaSpiperonum8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneR 5147DTXSID50452058-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one8-(3-p-Fluorobenzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decaneR-5147
이름 더 보기
스파이페론r5147SpiperonLuopenglongSpiperone-d5SpiperoneHClSpiroperidoneSpiperone, 10 mM in DMSO
NSC-1709834X6E73CJ0Q1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-CHEBI:9233DTXCID30252058-(4-(4-Fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneSpiroperone

데이터베이스 식별자

CAS
749-02-0
PubChem CID
5265
DTXSID
DTXSID5045205
ChEMBL
CHEMBL267930
ChEBI
CHEBI:9233
UNII
4X6E73CJ0Q
EC Number
212-024-0
Nikkaji
J3.320K

물성

구조 계산 물성

XLogP
3
극성 표면적
52.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
29

실험 및 물리화학적 성질

Solubility50.1 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section · 2건

193.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

199.03 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
190 · 190-193.60C
끓는 점
630.6 · 630.6±55.0 °C(Predicted)
밀도
1.1714 · 1.1714 (estimate)
저장 조건
Store at RT
용해도
2 O: · H2O: 난용성0.2mg/mL
산도 계수 (pKa)
8.31 · pKa 8.31 (Uncertain);9.09 (Uncertain)

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (98.5%)

안전 데이터

wgk
3
rtecs
XX8925000
risk_code
22-63
hazard_code
Xn
safety_code
36/37
Hazard Classifications
Acute Tox. 4 OralRepr. 2

화학 및 산업

약리 정보

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.

응용 분야

용도Spiperone is an antipsychotic.

일반 설명Spiperone is a butyrophenone antipsychotic agent. It induces calcium-dependent chloride secretion in the airway and functions as a potential therapeutic target for cystic fibrosis.

공급사33 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]

추가 설명

정의ChEBI: An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively.

관련 반응

13건

연결된 노트

불러오는 중…