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Chemical structure of Metoclopramide

GC16249

Metoclopramide

Also known as 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

Metoclopramide is a potent 5-HT3 and dopamine D2 receptor antagonist with IC50 values of 308nM and 483nM, respectively

ChemicalCAS364-62-5MW299.8FormulaC14H22ClN3O2
CAS number
364-62-5
Molecular weight
299.8
Formula
C14H22ClN3O2
Solubility
≥ 14·99 mg/mL in DMSO, ≥ 24·6 mg/mL in EtOH with gentle warming
InChIKey
TTWJBBZEZQICBI-UHFFFAOYSA-N
Catalogue number
GC16249
Brand
GLPBIO
Computed properties PubChem CID 4168 · XLogP 2.6 · TPSA 67.6 Ų · H-bond donors 2
XLogP
2.6
TPSA
67.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
20

SMILES CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl

Computed descriptors from PubChem (CID 4168), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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