CAS 122892-31-3|Itopride hydrochloride

Introduction：Basic information about CAS 122892-31-3|Itopride hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Itopride hydrochloride BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles8
8. Synonyms

Common Name	Itopride hydrochloride
CAS Number	122892-31-3	Molecular Weight	394.892
Density	/	Boiling Point	510.1ºC at 760 mmHg
Molecular Formula	C₂₀H₂₇ClN₂O₄	Melting Point	194-1950ºC
MSDS	ChineseUSA	Flash Point	262.3ºC
Symbol	GHS09	Signal Word	Warning

Names

Name	Itopride Hydrochloride
Synonym	More Synonyms

Itopride hydrochloride BiologicalActivity

Description	Itopride 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 >>AChEResearch 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

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CV4552000

CHEMICAL NAME :: Benzamide, N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-3,4-dim ethoxy-, monohydrochloride

CAS REGISTRY NUMBER :: 122892-31-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C20-H26-N2-O4.Cl-H

MOLECULAR WEIGHT :: 394.94

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,740,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 275 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,740,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,740,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 164 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,740,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,740,1995 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 18200 mg/kg/26W-I

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Skin and Appendages - breast Nutritional and Gross Metabolic - other changes

REFERENCE :: YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 21,1669,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 2730 mg/kg/13W-I

TOXIC EFFECTS :: Related to Chronic Data - changes in prostate weight

REFERENCE :: JZKEDZ Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa, Takatsu-ku, Kawasaki 211, Japan) V.1- 1975- Volume(issue)/page/year: 18,65,1992 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2520 mg/kg

SEX/DURATION :: male 9 week(s) pre-mating female 2 week(s) pre-mating - 7 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - menstrual cycle changes or disorders

REFERENCE :: JZKEDZ Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa, Takatsu-ku, Kawasaki 211, Japan) V.1- 1975- Volume(issue)/page/year: 18,87,1992

Safety Information

Symbol	GHS09
Signal Word	Warning
Hazard Statements	H410
Precautionary Statements	P273-P501
Hazard Codes	N
Risk Phrases	50
Safety Phrases	61
RIDADR	UN 3077 9 / PGIII
HS Code	2924299090

Customs

HS Code	2924299090
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles8

Effect of reversible ligands on oxime-induced reactivation of sarin- and cyclosarin-inhibited human acetylcholinesterase.

Toxicol. Lett. 232(3) , 557-65, (2015)

Poisoning by organophosphorus compounds (OP) used as pesticides and nerve agents is due to irreversible inhibition of the enzyme acetylcholinesterase (AChE). Oximes have been widely recognized for the...

QbD-enabled systematic development of gastroretentive multiple-unit microballoons of itopride hydrochloride.

Drug Deliv. 23 , 437-51, (2016)

The objectives of present studies were to develop the systematically optimized multiple-unit gastroretentive microballoons, i.e. hollow microspheres of itopride hydrochloride (ITH) employing quality b...

[Effect of HSR-803 on gastrointestinal motility].

Nihon Heikatsukin Gakkai Zasshi 25(6) , 313-5, (1989)

Synonyms

Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-, hydrochloride (1:1)

MFCD00881710

Itopride hydrochloride

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)

Itopride (hydrochloride)

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