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

HCID 12828501CAS 107049-57-0

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Grundinformationen

Standard-SMILES: COc1cc(CN2CCNCC2)cc(OC)c1OC.Cl.Cl
InChIKey: XIRALXKCBGTYSC-UHFFFAOYSA-N
Summenformel: C14H24Cl2N2O3
Durchschnittliche Molmasse: 339,3 g/mol
Monoisotopische Masse: 338,116398

Namen und Bezeichner

Bevorzugter Name: 1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine;dihydrochloride
IUPAC: 1-[(3,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
Englischer Name: 1-(3,4,5-Trimethoxy-benzyl)-piperazinedihydrochloride
Summenformel: C14H24Cl2N2O3
Molmasse: 339.25796

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 43 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 5
Schwere Atome: 21
Formalladung: 0
Komplexität: 245

Physikochemische Eigenschaften

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.