기본 정보
- CAS
147-20-6- 표준 SMILES
CN1CCC(OC(c2ccccc2)c2ccccc2)CC1- InChIKey
OWQUZNMMYNAXSL-UHFFFAOYSA-N- 분자식
- C19H23NO
- 평균 분자량
- 281.4 g/mol
- 단동위원소 질량
- 281.17796436
개요
Diphenylpyraline is a member of the class of piperidines that is the benzhydryl ether derivative of 1-methyl-4-hydroxypiperidine. A sedating antihistamine, it is used as the hydrochloride for the symptomatic relief of allergic conditions including rhinitis and hay fever, and in pruritic skin disorders. It is also used as the teoclate salt (piprinhydrinate) as an ingredient in compound preparations for the symptomatic relief of coughs and the common cold. It has a role as a H1-receptor antagonist and a cholinergic antagonist. It is a member of piperidines and a tertiary amine.
이름 및 식별자
- 우선 이름
- Diphenylpyraline
- IUPAC
- 4-benzhydryloxy-1-methylpiperidine
- 현지명
- 다이페닐피랄린 및 그 염류
- 영어명
- diphenylpyraline
- 분자식
- C19H23NO
- 분자량
- 281.39202
이름 및 동의어
diphenylpyraline147-20-6LyssipollMepibenNeargal4-(Benzhydryloxy)-1-methylpiperidine4-(Diphenylmethoxy)-1-methylpiperidineDiphenylpyralamineAllergenDifenilpiralinaDiphenylpyralinumAN 1041
이름 더 보기
다이페닐피랄린및그염류디페닐피랄린P-253DayfenAN1041HystrylHisprilBelfeneAN-1041Aids033087
1-Methyl-4-piperidyl benzhydryl ether4-(benzhydryloxy)-N-methylpiperidine33361OE3AV1-methyl-4-hydroxypiperidine benzhydryl ether4-DIPHENYLMETHOXY-1-METHYLPIPERIDINEDTXSID3022952CHEBI:59788RefChem:588945
데이터베이스 식별자
- CAS
147-20-6- PubChem CID
- 3103
- DTXSID
DTXSID3022952- ChEMBL
CHEMBL1492- ChEBI
CHEBI:59788- UNII
- 33361OE3AV
- EC Number
- 205-686-7
- Nikkaji
- J5.838F
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 268
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.7
Solubility1.88e-02 g/L
Human DrugsPharmaceuticals
Physical DescriptionSolid
Collision Cross Section172.19 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 끓는 점
- 424.06 °C · 424.06°C (rough estimate)
- 밀도
- 1.0423 · 1.0423 (rough estimate)
- 굴절률
- 1.5 · 1.5000 (estimate)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml,Ethanol:PBS (pH 7.2) (1:1): 0.5 mg/ml
- 물리적 상태
- 결정성 고체
- 색상
- White to off-white
안전 및 규제
GHS 분류
GHS Classification
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.
안전 데이터
- ridadr
- 3249
- 포장분류
- III
- 위험 등급
- 6.1(b)
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
QR - Respiratory system
Protein Binding> 99% in human serum albumin
Pharmacodynamics
Diphenylpyraline is an antihistamine that prevents, but does not reverse, responses mediated by histamine alone. Diphenylpyraline antagonizes most of the pharmacological effects of histamine, including urticaria and pruritus. Also, diphenylpyraline may exhibit anticholinergic actions (as do most of the antihistamines) and may thus provide a drying effect on the nasal mucosa.
Mechanism of ActionAntihistamines such as diphenylpyraline used in the treatment of allergy act by competing with histamine for H1-receptor sites on effector cells. This reduces the effects of histamine, leading to a temporary reduction of allergy symptoms.
Metabolism/MetabolitesHepatic
Absorption, Distribution and ExcretionWell absorbed after oral administration.
Cellular LocationsMembrane
Metabolite PathwaysDiphenylpyraline H1-Antihistamine Action
용도 및 제조
Use ClassificationPharmaceuticals
제조 방법
Diphenylpyraline synthesis via coupling of 4-hydroxy-1-methylpiperidine with benzhydrylbromide.
상·하류 제품 정보
상류 원료
공급사29 곳
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추가 설명
정의ChEBI: Diphenylpyraline is a member of the class of piperidines that is the benzhydryl ether derivative of 1-methyl-4-hydroxypiperidine. A sedating antihistamine, it is used as the hydrochloride for the symptomatic relief of allergic conditions including rhinitis and hay fever, and in pruritic skin disorders. It is also used as the teoclate salt (piprinhydrinate) as an ingredient in compound preparations for the symptomatic relief of coughs and the common cold. It has a role as a H1-receptor antagonist and a cholinergic antagonist. It is a member of piperidines and a tertiary amine.
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