Metoclopramide-d3

Base Information

• Chemical Name: Metoclopramide-d3
• CAS No.: 1216522-89-2
• Molecular Formula: C14H22ClN3O2
• Molecular Weight: 302.81
• DSSTox Substance ID: DTXSID90503914
• Wikidata: Q82358030
• Mol file: 1216522-89-2.mol

Synonyms:Metoclopramide-d3;1216522-89-2;4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(trideuteriomethoxy)benzamide;Metaclopramide D3;Metoclopramide D3;DTXSID90503914;4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide-d3;4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(methoxy-d3)benzamide;AKOS025310654;CS-O-03075;CS-O-06769;J-004563;4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-[(~2~H_3_)methyloxy]benzamide

Chemical Property of Metoclopramide-d3

Chemical Property:

• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 302.1588849
• Heavy Atom Count: 20
• Complexity: 300

Purity/Quality:

>95% ^*data from raw suppliers

Metoclopramide-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl
• Isomeric SMILES: [2H]C([2H])([2H])OC1=CC(=C(C=C1C(=O)NCCN(CC)CC)Cl)N
• Description: Metoclopramide-d3 is intended for use as an internal standard for the quantification of metoclopramide by GC- or LC-MS. Metoclopramide is an orally bioavailable serotonin (5-HT) receptor 5-HT3 antagonist with Ki and IC50 values of 995 and 308 nM, respectively, in rat cortical membranes. It is also a dopamine D2 receptor antagonist (IC50 = 483 nM in rat brain synaptic membranes). Oral administration of metoclopramide inhibits emesis induced by cisplatin and apomorphine in ferrets and dogs with ED50 values of 6.17 and 0.45 mg/kg, respectively. Metoclopramide reversibly inhibits human acetylcholinesterase (AChE) isolated from the caudate nucleus (Kis = 9.3 and 82 μM for competitive and non-competitive inhibition, respectively). Formulations containing metoclopramide have been used as anti-emetic and antipsychotic agents.
• Uses: Labelled dopamine D2 receptor antagonist. A labelled substituted benzamide with neuroleptic activity. Antiemetic.