Cloxacepride
Basic information
- CAS
65569-29-1- Standard SMILES
CCN(CC)CCNC(=O)c1cc(Cl)c(NC(=O)COc2ccc(Cl)cc2)cc1OC- InChIKey
VZNJZQAFQDEJOO-UHFFFAOYSA-N- Molecular formula
- C22H27Cl2N3O4
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 467.1378617
Overview
Cloxacepride is a small molecule drug. The usage of the INN stem '-pride' in the name indicates that Cloxacepride is a sulpiride derivative and analogue. Cloxacepride has a monoisotopic molecular weight of 467.14 Da.
Names & identifiers
- Preferred name
- Cloxacepride
- IUPAC
- 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
- English name
- Cloxacepride
- Molecular formula
- C22H27Cl2N3O4
- Molecular weight
- 468.37
Names & synonyms
Cloxacepride65569-29-1CloxacepridaCloxacepridumZ4J6TAJ4FXDTXSID508671655-Chloro-4-(2-(p-chlorophenoxy)acetamido)-N-(2-(diethylamino)ethyl)-o-anisamideRefChem:127134DTXCID20815370Cloxacepride [INN]UNII-Z4J6TAJ4FXCloxacepridum [INN-Latin]
Show more names
5-Chloro-4-[(4-chlorophenoxy)acetylamino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide5-Chloro-4-[[(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamideBenzamide, 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxy-
Cloxaceprida [INN-Spanish]CHEMBL10445orb1819184SCHEMBL21091555-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide5-chloro-4-[2-(4-chlorophenoxy)acetamido]-N-[2-(diethylamino)ethyl]-2-methoxybenzamideTS-09497HY-106645
Database identifiers
- CAS
65569-29-1- PubChem CID
- 68859
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 616.648 · 616.648±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.311 · 11.311±0.70(predicted)
- FDA UNII
- 4 J6TAJ4FX · Z4J6TAJ4FX
Chemistry & industry
Applications
UsesCloxacepride is an orally active and potent antiallergic agent. Cloxacepride is a CaM (calmodulin) antagonist. Cloxacepride has anti-PCA (passive cutaneous anaphylaxis) activity[1][2].
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Compound notes
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