CAS 92981-78-7 Tesmilifene Hydrochloride (HCID 175534)

部分構造検索類似構造を探す

基本情報

CAS: 92981-78-7
標準SMILES: CCN(CC)CCOc1ccc(Cc2ccccc2)cc1.Cl
InChIKey: TXLHNFOLHRXMAU-UHFFFAOYSA-N
分子式: C19H26ClNO
平均分子量: 319.9 g/mol
単同位体質量: 319.17029213

概要

See also: Tesmilifene (has active moiety).

名称と識別子

優先名称: Tesmilifene Hydrochloride
IUPAC: 2-(4-benzylphenoxy)-N,N-diethylethanamine;hydrochloride
現地名: DPPE 塩酸塩
英語名: DPPE
分子式: C19H26ClNO
分子量: 319.87

名称と別名

Tesmilifene hydrochloride92981-78-7DPPE hydrochlorideTesmilifene HClBMY-33419DPP-EBMS-217380-01NSC-7411961U4B477260RefChem:188317BzPhOEt-diethylammonium chlorideN,N-diethyl-2-((4-phenylmethyl)phenoxy)ethanamine hydrochloride

名称をさらに表示

DPPE 塩酸塩テスミリフェン塩酸塩YMB1002BMY 33419BMS 217380-01Tesmilifine hydrochlorideTXLHNFOLHRXMAU-UHFFFAOYSA-N[2-(4-Benzyl-phenoxy)-ethyl]-diethyl-amine hydrochlorideN,N-Diethyl-2-[4-(phenylmethyl) phenoxy]ethanamine hydrochloride

N,N-diethyl-2-(4-(phenylmethyl)phenoxy)ethanamine hydrochlorideN,N-diethyl-2-((4-phenylmethyl)phenoxy)-ethanamine hydrochloridedppeTesmilifene (hydrochloride)Tesmilifene hydrochloride [USAN]2-(4-benzylphenoxy)-N,N-diethylethanamine;hydrochlorideBMS 217380-01; BMY 33419; DPPE;Tesmilifene hydrochloride (USAN)

データベース識別子

CAS: 92981-78-7
PubChem CID: 175534
DTXSID

物性

構造計算による物性

極性表面積: 12.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 8
重原子数: 22
形式電荷: 0
複雑度: 250

物理化学的性質

融点: 156 · 156-158°
貯蔵温度: 2 · 2-8°C
溶解性: 2 O: · H2O: 可溶性16mg/mL
酸解離定数(Pka): 10.9 · 10.9(at 25℃)
外見: 白い粉
色: white
水溶解度: 2 O: · H2O: 16mg/mL
InChI: 1S/C19H25NO.ClH/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17;/h5-13H,3-4,14-16H2,1-2H3;1H
InChIKey: TXLHNFOLHRXMAU-UHFFFAOYSA-N
SMILES: Cl.CCN(CC)CCOc1ccc(Cc2ccccc2)cc1

安全と法規制

安全データ

wgk: nwg
ridadr: UN 3077 9 / PGIII
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only.

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.