기본 정보
- 표준 SMILES
NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1- InChIKey
AXKPFOAXAHJUAG-UHFFFAOYSA-N- 분자식
- C21H30FN3O2
- 평균 분자량
- 375.5 g/mol
- 단동위원소 질량
- 375.23220537
이름 및 식별자
- 우선 이름
- Pipamperone
- IUPAC
- 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
- 영어명
- Pipamperone dihydrochloride approx. 99
- 분자식
- C21H30FN3O2
- 분자량
- 375.48
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1893-33-0- PubChem CID
- 4830
- DTXSID
DTXSID8048369- ChEMBL
CHEMBL440294- ChEBI
CHEBI:78549- UNII
- 5402501F0W
- EC Number
- 606-172-9
- Nikkaji
- J7.805K
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 66.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 506
실험 및 물리화학적 성질
Collision Cross Section
192.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
194.1 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
194.65 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];191.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 126 °C · 126°C(lit.)
- 끓는 점
- 563.7 · 563.7±50.0 °C(Predicted)
- 밀도
- 1.1017 · 1.1017 (estimate)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 2 O: · H2O: ~50 mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 16.2 · 16.20±0.20(Predicted)
- 색상
- 하얀색
- 수용성
- 81.7 mg/L · 81.7mg/L at 25℃
- Merck
- 14 · 14,7455
- LogP
- 2.42 · 2.42
- EPA
- Pipamperone (1893-33-0)
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral];H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
규제 정보
안전 데이터
- wgk
- 1
- rtecs
- DW1060000
- ridadr
- UN 2811 6.1/PG III
- HS 번호
- 2933.39.3100
- risk_code
- 22
- hazard_code
- Xn
- 포장분류
- III
- 위험 등급
- 6.1
화학 및 산업
약리 정보
ATC Code
N05AD05
N - Nervous system;N05 - Psycholeptics;N05A - Antipsychotics;N05AD - Butyrophenone derivatives;N05AD05 - Pipamperone
QN - Nervous system;QN05 - Psycholeptics;QN05A - Antipsychotics;QN05AD - Butyrophenone derivatives;QN05AD05 - Pipamperone
Pharmacodynamics
Pipamperone is an antipsychotic medication that has sedative effects, which may be beneficial in the management of agitation and disordered sleep. Pipamperone, showing antidopaminergic and anti-serotonergic properties, has been noted for its anti- agitation effects and for its ability to normalize sleep rhythms in psychiatric patients. One study showed that pipamperone increased the expression of D4 (dopaminergic) receptors, explaining its helpfulness in decreasing positive psychotic symptoms, such as delusions and hallucinations.
Mechanism of Action
Pipamperone binds mainly to 5-HT2A receptors, with a nearly equal affinity to D4 receptors and a moderate affinity for 5-HT2C, D2, D3, 1- and 2B-adrenoceptors. This drug is a selective 5-HT2A, D1 and D4 antagonist. Extrapyramidal adverse effects also appear to be limited in pipamperone treatment compared to traditional antipsychotic medications due to its high receptor selectivity. Pipamperone has a 15-fold higher affinity for D4 than D2 receptors. It has been suggested that D4 receptors may play a role in the modulation of GABAergic neuronal activity by dopamine.
MeSH Pharmacological Classification
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
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.
용도 및 제조
응용 분야
용도Antipsychotic.
상·하류 제품 정보
상류 원료
공급사44 곳
추가 설명
정의ChEBI: A member of the class of bipiperidines that is 1,4'-bipiperidine which is substituted at the 1' and 4' positions by 4-(p-fluorophenyl)-4-oxobutyl and carboxamide groups, respectively. A first generation antipsychotic, its properties are gener lly similar to those of haloperidol.
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