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Penfluridol

HCID 33630
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
26864-56-2
표준 SMILES
OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey
MDLAAYDRRZXJIF-UHFFFAOYSA-N
분자식
C28H27ClF5NO
평균 분자량
524 g/mol
단동위원소 질량
523.170133

개요

1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol is a diarylmethane.

이름 및 식별자

우선 이름
Penfluridol
IUPAC
1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
영어명
Penfluridol
분자식
C28H27ClF5NO
분자량
523.97

이름 및 동의어

PENFLURIDOL26864-56-2SemapPenfluridolumMcN-JR-16,341R-16341DTXSID5049021R 16341MCN-JR-16341NSC-75917925TLU22Q8H4-Piperidinol, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)-
이름 더 보기
TLP-607PenfuridolPenfluidolPHENFLURIDOLPenfluridol>D7-Penfluridol
R 16,341DTXCID60289474-Piperidinol, 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-RefChem:859405R16341N05AG03248-074-51-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol

데이터베이스 식별자

CAS
26864-56-2
PubChem CID
33630
DTXSID
DTXSID5049021
ChEMBL
CHEMBL47050
ChEBI
CHEBI:92278
UNII
25TLU22Q8H
EC Number
248-074-5
Nikkaji
J9.798E

물성

구조 계산 물성

XLogP
7.3
극성 표면적
23.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
36
형식 전하
0
복잡도
647

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Antipsychotics

Pharmaceuticals -> Nervous system -> Antipsychotics

Human DrugsPharmaceuticals
Collision Cross Section · 2건

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

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

물리화학적 성질

녹는점
105 · 105-107°C
끓는 점
587.7 · 587.7±50.0 °C(Predicted)
밀도
1.2425 · 1.2425 (estimate)
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 불용성
물리적 상태
가루
산도 계수 (pKa)
13.49 · 13.49±0.20(Predicted)
색상
하얀색
Merck
14 · 14,7087
InChI
1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2

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, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk
3
rtecs
TN6957000
ridadr
UN 2811 6.1/PG 3
독성
LD50 orally in mice (day 7): 86.8 mg/kg (Janssen)
HS 번호
29333990
risk_code
25
hazard_code
T
safety_code
45
포장분류
III
위험 등급
6.1
Hazard Classifications
Acute Tox. 3 Oral
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

ATC Code · 3건

N05AG03

N - Nervous system

QN - Nervous system

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.

용도 및 제조

Use ClassificationPharmaceuticals
응용 분야 · 1건

용도In terms of pharmacological action, penfluridol is similar to pimozide; however, it is significantly longer lasting, which is connected to the slow metabolism of the drug. Penfluridol is used as a supportive therapy in ambulatory settings for patients suffering from schizophrenia as well as patients with paranoid, psychotic, and neuroleptic conditions.

상·하류 제품 정보

상류 원료

플루오르벤젠

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
InChIKey
MDLAAYDRRZXJIF-UHFFFAOYSA-N
SMILES
N1(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CCC(C2=CC=C(Cl)C(C(F)(F)F)=C2)(O)CC1
NIST
Penfluridol(26864-56-2)

하류 제품

N-Carbethoxy-4-piperidone

공급사100 곳

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