1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine;dihydrochloride

HCID 12828501

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基本情報

CAS: 107049-57-0
標準SMILES: COc1cc(CN2CCNCC2)cc(OC)c1OC.Cl.Cl
InChIKey: XIRALXKCBGTYSC-UHFFFAOYSA-N
分子式: C14H24Cl2N2O3
平均分子量: 339.3 g/mol
単同位体質量: 338.116398

名称と識別子

優先名称: 1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine;dihydrochloride
IUPAC: 1-[(3,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
英語名: 1-(3,4,5-Trimethoxy-benzyl)-piperazinedihydrochloride
分子式: C14H24Cl2N2O3
分子量: 339.25796

名称と別名

107049-57-01-[(3,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride1-((3,4,5-trimethoxyphenyl)methyl)piperazine;dihydrochlorideRefChem:418419642-164-11-(3,4,5-trimethoxybenzyl)piperazine dihydrochloride1-(3,4,5-trimethoxy-benzyl)-piperazine dihydrochlorideTrimetazidine Impurity A1-(3,4,5-Trimethoxy-benzyl)-piperazinedihydrochlorideSCHEMBL4811662XIRALXKCBGTYSC-UHFFFAOYSA-NTrimetazidine EP Impurity A DiHCl

名称をさらに表示

Trimetazidine Impurity 3trimetazidine impurity11371-(3,4,5-Trimethoxybenzyl)piperazinTrimetazidine Dihydrochloride Impurity A as Dihydrochloride1-[(3,4,5-trimethoxyphenyl)methyl]piperazine:dihydrochlorideTrimetazidine Dihydrochloride EP Impurity A as DihydrochlorideTrimTrimetazidine Dihydrochloride EP Impurity A as Dihydrochlorideetazidine Trimetazidine Dihydrochloride EP Impurity A as DihydrochlorideEP Impurity A as Dihydrochloride

AKOS015845357IT145544G813701(3,4,5-trimethoxybenzyl)piperazine dihydrochloride1-(3,4,5trimethoxybenzyl)piperazine dihydrochloride1-(3,4,5-trimethyoxybenzyl)piperazine dihydrochlorideN1-(3,4,5-trimethoxybenzyl)piperazine dihydrochlorideTrimetazidine Dihydrochloride Imp. A (EP); Trimetazidine Imp. A (EP); 1-(3,4,5-Trimethoxybenzyl)piperazine Dihydrochloride; Trimetazidine Dihydrochloride Imp. A (EP) as Dihydrochloride; Trimetazidine Dihydrochloride Impurity A as Dihydrochloride; Trimetazidine Impurity A as Dihydrochloride

データベース識別子

CAS: 107049-57-0
PubChem CID: 12828501
EC Number: 642-164-1

物性

構造計算による物性

極性表面積: 43 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 21
形式電荷: 0
複雑度: 245

物理化学的性質

InChI: InChI=1S/C14H22N2O3.2ClH/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-16-6-4-15-5-7-16;;/h8-9,15H,4-7,10H2,1-3H3;2*1H
InChIKey: XIRALXKCBGTYSC-UHFFFAOYSA-N
SMILES: N1(CC2=CC(OC)=C(OC)C(OC)=C2)CCNCC1.[H]Cl.[H]Cl

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.