Basic information
- CAS
102670-46-2- Standard SMILES
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC(C)C(C)=O- InChIKey
ZYOJXUNLLOBURP-UHFFFAOYSA-N- Molecular formula
- C17H26ClN3O3
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.16626937
Overview
Batanopride is a serotonin antagonist having antiemetic properties.
Names & identifiers
- Preferred name
- Batanopride
- IUPAC
- 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-oxobutan-2-yloxy)benzamide
- English name
- batanopride
- Molecular formula
- C17H26ClN3O3
- Molecular weight
- 355.86
Names & synonyms
BATANOPRIDEBatanoprida102670-46-2BatanopridumBMY-258011AT99K728NDTXSID20869373Benzamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-(1-methyl-2-oxopropoxy)-4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-(1-methyl-2-oxopropoxy)benzamideRefChem:116647DTXCID70817364Batanopride [INN]
Show more names
4-amino-2-(butan-2-on-3-yl)oxy-5-chloro-n-[2-(diethylamino)ethyl]benzamide
CHEMBL385944-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-oxobutan-2-yloxy)benzamideBatanoprida [INN-Spanish]Batanopridum [INN-Latin]UNII-1AT99K728N4-amino-5-chloro-n-[2-(diethylamino)ethyl]-2-[(3-oxobutan-2-yl)oxy]benzamide(+/-)-BATANOPRIDEBATANOPRIDE [WHO-DD]
Database identifiers
- CAS
102670-46-2- PubChem CID
- 59692
- DTXSID
DTXSID20869373- ChEMBL
CHEMBL38594- UNII
- 1AT99K728N
- Nikkaji
- J227.674G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Boiling point
- 481.7 · 481.7±45.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 13.74 · 13.74±0.46(Predicted)
- FDA UNII
- 1 AT99K728N · 1AT99K728N
Chemistry & industry
Applications
UsesAntiemetic.
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
7 records
Compound notes
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