(4-amino-5-chloro-2-methoxyphenyl)-N-[2-(diethylamino)ethyl]carboxamide, chlor ide, hydrate
Basic information
- CAS
54143-57-6- Standard SMILES
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.O.[Cl-]- InChIKey
KJBLQGHJOCAOJP-UHFFFAOYSA-N- Molecular formula
- C14H25Cl2N3O3
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 353.1272971
Overview
See also: Metoclopramide Hydrochloride (preferred); Metoclopramide (has active moiety).
Names & identifiers
- Preferred name
- (4-amino-5-chloro-2-methoxyphenyl)-N-[2-(diethylamino)ethyl]carboxamide, chlor ide, hydrate
- IUPAC
- 2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]ethyl-diethylazanium;chloride;hydrate
- English name
- Metoclopramide monohydrochloride monohydrate
- Molecular formula
- C14H25Cl2N3O3
- Molecular weight
- 354.27
Names & synonyms
(4-amino-5-chloro-2-methoxyphenyl)-N-[2-(diethylamino)ethyl]carboxamide, chlor ide, hydrate4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrateSBB056996AKOS024362792ST50993894MetoclopraMide HCIMetoclopramide HCl monohydrateMetoclopramide hydrochloride CRSMetocLAnnavarGastromaxGastreseL.A
Show more names
LevohypropizineGastrobidcontinusopramide hydrochL
Database identifiers
- CAS
54143-57-6- PubChem CID
- 43833342
Properties
Computed structural properties
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 182.5 · 182.5-184°
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- It is very soluble in water, easily soluble in ethyl alcohol, slightly soluble in dichloromethane.
- Sensitive
- Light Sensitive
- BCS Class
- 3 · 3
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C14H22ClN3O2.ClH.H2O/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;1H2
- InChIKey
- RVFUNJWWXKCWNS-UHFFFAOYSA-N
- SMILES
- C(C1C=C(Cl)C(N)=CC=1OC)(=O)NCCN(CC)CC.Cl.O
- CAS DataBase Reference
- 54143 · 54143-57-6(CAS DataBase Reference)
- FDA UNII
- 1792 A2RVD · W1792A2RVD
- NCI Drug Dictionary
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2924296000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesDopamine receptor antagonist; antiemetic.
UsesMetoclopramide Hydrochloride may be used as a pharmaceutical reference standard for the determination of the analyte in pharmaceutical formulations and biological fluids by chromatography and chemiluminescence techniques.
General DescriptionPharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.Metoclopramide Hydrochloride is an antiemetic drug and is generally used for the treatment of gastrointestinal disorders. It can also exhibit sedative, extrapyrimidal, and prolactin secretion stimulation actions.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A hydrate that is the monohydrate form of metoclopramide monohydrochloride.
Related reactions
0 records
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Compound notes
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