CAS No.7232-21-5,METOCLOPRAMIDE HCL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7232-21-5
Name:	METOCLOPRAMIDE HCL

Formula:	C₁₄H₂₂ClN₃O₂^.HCl
Molecular Weight:	336.262
Synonyms:	Benzamide,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-, monohydrochloride (9CI);o-Anisamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-, monohydrochloride(8CI);4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide hydrochloride;AHR 3070-C;Ami-metoclopramide;Cerucal;Maxolon;Metoclopramide monohydrochloride;Metoclopramide-Hakim;Metpamid;Mexeron;NSC354467;Paspertin;Perinorm;Plazilin;Primperan (tablet);Reglan;Rimetin;Telperane;Tserulan;
EINECS:	206-662-9
Melting Point:	171-173 °C
Boiling Point:	418.7 °C at 760 mmHg
Flash Point:	207 °C
Solubility:	souble in water
Appearance:	white solid
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	26-36
PSA:	67.59000
LogP:	3.77650

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Specification

The IUPAC name of Metoclopramide hydrochloride is 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide hydrochloride. With the CAS registry number 7232-21-5, it is also named as Benzamide,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-, hydrochloride (1:1). The product's categories are antagonists, dopaminergics, neurotransmitters and dopamine receptor and the other registry number is 49625-23-2. Moreover, it is white solid and souble in water, its molecular formula is C₁₄H₂₃Cl₂N₃O₂, and molecular weight is 336.26.

The other characteristics of Metoclopramide hydrochloride can be summarized as: (1)EINECS: 230-634-5; (2)ACD/LogP: 2.22; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.85; (5)ACD/LogD (pH 7.4): 0.04; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 2.54; (10)H bond acceptors: 5; (11)H bond donors: 3; (12)Freely Rotating Bonds: 8; (13)Rotatable Bond Count: 7; (14)Tautomer Count: 5; (15)Exact Mass: 335.116732; (16)MonoIsotopic Mass: 335.116732; (17)Heavy Atom Count: 21; (18)Complexity: 300; (19)Polar Surface Area: 36.02 Å²; (20)Flash Point: 207 °C; (21)Enthalpy of Vaporization: 67.23 kJ/mol; (22)Boiling Point: 418.7 °C at 760 mmHg; (23)Vapour Pressure: 3.22E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: Metoclopramide hydrochloride is harmful if swallowed. So when you use it, please wear suitable protective clothing. Besides, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1cc(c(OC)cc1N)C(=O)NCCN(CC)CC.Cl
(2)InChI:InChI=1/C14H22ClN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H
(3)InChIKey:RVFUNJWWXKCWNS-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C14H22ClN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H
(5)Std. InChIKey:RVFUNJWWXKCWNS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	intravenous	143ug/kg (0.143mg/kg)	CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)	Intensive Care Medicine. Vol. 12, Pg. 378, 1986.
man	TDLo	multiple routes	85mg/kg/48W-I (85mg/kg)	BEHAVIORAL: ATAXIA	New England Journal of Medicine. Vol. 315, Pg. 518, 1986.
man	TDLo	oral	400ug/kg/16H- (0.4mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: REGIDITY	Anesthesia and Analgesia Vol. 66, Pg. 274, 1987.
man	TDLo	oral	1mg/kg/2D-I (1mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	British Journal of Clinical Practice. Vol. 28, Pg. 201, 1974.
man	TDLo	oral	1714ug/kg (1.714mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: REGIDITY	Southern Medical Journal. Vol. 81, Pg. 674, 1988.
man	TDLo	oral	1161mg/kg/2D- (1161mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Southern Medical Journal. Vol. 76, Pg. 817, 1983.
rat	LD50	subcutaneous	475mg/kg (475mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
women	TDLo	intravenous	15mg/kg/9H-I (15mg/kg)		Clinical Pharmacy. Vol. 5, Pg. 342, 1986.
women	TDLo	oral	2400ug/kg/3D- (2.4mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Canadian Medical Association Journal. Vol. 126, Pg. 23, 1982.