基本情報
- CAS
147-20-6- 標準SMILES
CN1CCC(OC(c2ccccc2)c2ccccc2)CC1- InChIKey
OWQUZNMMYNAXSL-UHFFFAOYSA-N- 分子式
- C19H23NO
- 平均分子量
- 281.4 g/mol
- 単同位体質量
- 281.17796436
概要
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.
名称と識別子
- 優先名称
- Diphenylpyraline
- IUPAC
- 4-benzhydryloxy-1-methylpiperidine
- 現地名
- ジフェニルピラリン
- 英語名
- diphenylpyraline
- 分子式
- C19H23NO
- 分子量
- 281.39202
名称と別名
diphenylpyraline147-20-6LyssipollMepibenNeargal4-(Benzhydryloxy)-1-methylpiperidine4-(Diphenylmethoxy)-1-methylpiperidineDiphenylpyralamineAllergenDifenilpiralinaDiphenylpyralinumAN 1041
名称をさらに表示
ネアルガルリシポールリッシポールヒストリルネアルガール4-ジフェニルメトキシ-1-メチルピペリジン4-(ジフェニルメトキシ)-1-メチルピペリジンヒスチンジフェニルピラリンジフェニルピリレンヒスプリルダイフェンベルフェン1-メチル-4-(ジフェニルメトキシ)ピペリジンメピベンP-253DayfenAN1041HystrylHisprilBelfeneAN-1041Aids033087
1-Methyl-4-piperidyl benzhydryl ether4-(benzhydryloxy)-N-methylpiperidine33361OE3AV1-methyl-4-hydroxypiperidine benzhydryl ether4-DIPHENYLMETHOXY-1-METHYLPIPERIDINEDTXSID3022952CHEBI:59788RefChem:588945
データベース識別子
- CAS
147-20-6- PubChem CID
- 3103
- DTXSID
DTXSID3022952- ChEMBL
CHEMBL1492- ChEBI
CHEBI:59788- UNII
- 33361OE3AV
- EC Number
- 205-686-7
- Nikkaji
- J5.838F
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 12.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 268
実験および物理化学的性質
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]
物理化学的性質
- 沸点
- 424.06 °C · 424.06°C (rough estimate)
- 比重(密度)
- 1.0423 · 1.0423 (rough estimate)
- 屈折率
- 1.5 · 1.5000 (estimate)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 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
- 外見
- A crystalline solid
- 色
- White to off-white
安全と法規制
GHS分類
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.
安全データ
- ridadr
- 3249
- hazard_class
- 6.1(b)
- packing_group
- III
化学と産業
薬理情報
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
用途と製造
Use ClassificationPharmaceuticals
調製方法
製造方法Diphenylpyraline synthesis via coupling of 4-hydroxy-1-methylpiperidine with benzhydrylbromide.
上流・下流製品情報
上流原料
サプライヤー29 社
北京华美互利生物化工010-56205725 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
ChemeGen 中国18818260767 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
郑州睿科生化科技有限公司18521304688;17324816296 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
補足説明
定義ChEBI: 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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