CAS 1325559-18-9 Mapenterol hydrochloride (HCID 13355612)

基本情報

CAS: 1325559-18-9
標準SMILES: CCC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1.Cl
InChIKey: LWJSGOMCMMDPEN-UHFFFAOYSA-N
分子式: C14H21Cl2F3N2O
平均分子量: 361.2 g/mol
単同位体質量: 360.0983032

名称と識別子

優先名称: Mapenterol hydrochloride
IUPAC: 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride
現地名: マペンテロール塩酸塩
英語名: 1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-(1,1-dimethyl-propylamino)-ethanol hydrochloride
分子式: C14H21Cl2F3N2O
分子量: 361.2305496

名称と別名

Mapenterol hydrochloride54238-51-6DTXSID60538091RefChem:810599DTXCID601784403634-688-4Mapenterol (hydrochloride)1325559-18-9Mapenterol-D11 Hydrochloride1-(4-Amino-3-chloro-5-trifluoromethylphenyl)-2-(1,1-dimethylpropylamino)ethanol hydrochloride1-(4-AMINO-3-CHLORO-5-TRIFLUOROMETHYL-PHENYL)-2-(1,1-DIMETHYL-PROPYLAMINO)-ETHANOL HYDROCHLORIDE1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride

名称をさらに表示

マペンテロール塩酸塩MAPENTEROL 塩酸塩C14754000 MapenteroLhydrochlorideMapenterol hydrochloride (Standard)Mapenterol hydrochloride in MethanolMapenterol hydrochloride, 10 mM in DMSOMapenterol hydrochloride solution,100ppmMapenterol hydrochloride Standard solutionMapenterol hydrochloride Solution, 1000ppmMapenterol hydrochloride VETRANAL, analytical standardInhibitor,Adrenergic Receptor,inhibit,Mapenterol hydrochloride,Mapenterol,Beta Receptor

Mapenterol hydrochloride-d11C14H21Cl2F3N2Oorb1303212orb3025373SCHEMBL11054918MSK1365AD11CHEBI:182531MSK1365A-100M

データベース識別子

CAS: 1325559-18-9、54238-51-6
PubChem CID: 13355612
DTXSID: DTXSID60538091
ChEBI: CHEBI:182531
EC Number: 634-688-4、808-539-0

物性

構造計算による物性

極性表面積: 58.3 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 22
形式電荷: 0
複雑度: 339

物理化学的性質

融点: 176 · 176-178℃ (Decomposition)
貯蔵温度: -20 °C · -20°C Freezer
溶解性: DMSO（少々）、メタノール（少々）、水（少々）
外見: Solid
色: ペールイエローからライトベージュ
水溶解度: Water: slightly soluble
主な用途: 法医学と毒物学医薬品（低分子化合物）獣医
InChI: 1S/C14H20ClF3N2O.ClH/c1-4-13(2,3)20-7-11(21)8-5-9(14(16,17)18)12(19)10(15)6-8;/h5-6,11,20-21H,4,7,19H2,1-3H3;1H
InChIKey: LWJSGOMCMMDPEN-UHFFFAOYSA-N
SMILES: Cl.CCC(C)(C)NCC(O)c1cc(Cl)c(N)c(c1)C(F)(F)F

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.

危険有害性情報

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29215900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

サプライヤー12 社

成都梓永智研生物科技有限公司17780686372 · [email protected]

上海稳同科技有限公司02151600108 13062666369 · [email protected]

玺标（上海）科技有限公司18512111473 18512111473 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]

化合物ノート

読み込み中…