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Basic Information
CAS No.: 7232-21-5
Name: METOCLOPRAMIDE HCL
Molecular Structure:
Molecular Structure of 7232-21-5 (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: HarmfulXn
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.