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Itopride hydrochloride structure, CAS 122892-31-3

Itopride hydrochloride

CAS Number122892-31-3

SynonymsBenzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-, hydrochloride (1:1); MFCD00881710; N-[4-[2-(Dimethylamino)ethoxy]benzyl]-3,4-dimethoxybenzamide Hydrochloride; N-{4-[2-(Dimethylamino)ethoxy]benzyl}-3,4-dimethoxybenzamide Hydrochloride; N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide,hydrochloride; N-(p-(2-(Dimethylamino)ethoxy)benzyl)veratramide Hydrochloride; N-{4-[2-(Dimethylamino)ethoxy]benzyl}-3,4-dimethoxybenzamide hydrochloride (1:1)

Molecular FormulaC20H27O4N2Cl1

Molecular Weight394.9

Purity98%

Density

Boiling Point510.1ºC at 760 mmHg

Melting Point194-1950ºC

Flash Point

AppearanceWhite or light brown crystals

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9011076 Purity: 98%
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Quality Control of [ 122892-31-3 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number122892-31-3
Catalog No.2A-9011076
Chinese Name盐酸伊托必利
SynonymsBenzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-, hydrochloride (1:1); MFCD00881710; N-[4-[2-(Dimethylamino)ethoxy]benzyl]-3,4-dimethoxybenzamide Hydrochloride; N-{4-[2-(Dimethylamino)ethoxy]benzyl}-3,4-dimethoxybenzamide Hydrochloride; N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide,hydrochloride; N-(p-(2-(Dimethylamino)ethoxy)benzyl)veratramide Hydrochloride; N-{4-[2-(Dimethylamino)ethoxy]benzyl}-3,4-dimethoxybenzamide hydrochloride (1:1)
Molecular FormulaC20H27O4N2Cl1
Molecular Weight394.9
Purity98
Boiling Point510.1ºC at 760 mmHg
Melting Point194-1950ºC
AppearanceWhite or light brown crystals
Storage Condition-20?C Freezer
ApplicationItopride hydrochloride is an acetylcholinesterase (AChE) inhibitor and D2DR inhibitor.
HTC2924299090
MDL NumberMFCD00881710
SMILESCOc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H
InChI KeyZTOUXLLIPWWHSR-UHFFFAOYSA-N
Hazard SymbolsTransport
MSDSmsds/11076_1_122892_31_3.pdf
BioactivityItopride hydrochloride is an AChE inhibitor (acetylcholinesterase) and D2DR inhibitor.Target: AChEItopride is a gastroprokinetic benzamide derivative. The IC50 of itopride with AChE (2.04 ± 0.27 microM) was, however, 100-fold less than that with BuChE, whereas in the case of neostigmine with AChE (11.3 ± 3.4 nM), it was 10-fold less. The inhibitory effect of itopride on cholinesterase (ChE) activity in guinea pig gastrointestine was much weaker than that on pure AChE. the IC50s of itopride against ChE activities were found to be about 0.5 microM. The IC50 of itopride for electric eel and guinea pig gastrointestinal AChE inhibition was 200 times and 50 times as large as that of neostigmine, respectively [1]. Related Catalog Signaling Pathways >> Neuronal Signaling >> AChE Research Areas >> Neurological Disease References [1]. Iwanaga, Y., et al., Characterization of acetylcholinesterase-inhibition by itopride. Jpn J Pharmacol, 1994. 66(3): p. 317-22. Chemical & Physical Properties Boiling Point 510.1ºC at 760 mmHg Melting Point 194-1950ºC Molecular Formula C20H27ClN2O4 Molecular Weight 394.892 Flash Point 262.3ºC Exact Mass 394.165924 PSA 60.03000 LogP 3.76710 Vapour Pressure 1.6E-10mmHg at 25°C InChIKey ZTOUXLLIPWWHSR-UHFFFAOYSA-N SMILES COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC.Cl Storage condition -20?C Freezer
Use ofProperties Name Itopride Hydrochloride Synonym More Synonyms Itopride hydrochloride Biological Activity Related Catalog Signaling Pathways >> Neuronal Signaling >> AChE Research Areas >> Neurological Disease References [1]. Iwanaga, Y., et al., Characterization of acetylcholinesterase-inhibition by itopride. Jpn J Pharmacol, 1994. 66(3): p. 317-22. Chemical & Physical Properties Exact Mass 394.165924 PSA 60.03000 LogP 3.76710 InChIKey ZTOUXLLIPWWHSR-UHFFFAOYSA-N Storage condition -20?C Freezer
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 United Nations number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 United Nations shipping name European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (ITOPRIDE) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (ITOPRIDE) International Air Transport Hazard Regulation: Environmentally hazardous substance, solid, n.o.s. (ITOPRIDE) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special precautions further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3),
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