trans-Nemonapride
Basic information
- CAS
752154-64-6- Standard SMILES
CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl- InChIKey
KRVOJOCLBAAKSJ-KBXCAEBGSA-N- Molecular formula
- C21H26ClN3O2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1713548
Names & identifiers
- Preferred name
- trans-Nemonapride
- IUPAC
- N-[(2S,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
- English name
- transNemonapride
- Molecular formula
- C21H26ClN3O2
- Molecular weight
- 387.9
Names & synonyms
trans-Nemonapridetrans Nemonapride752154-64-6N-[(2S,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamideNCGC00025273-01Tocris-1746CHEMBL1553422DTXSID40424988AKOS030242933FN26181trans-5-Chloro-2-methoxy-4-(methylamino)-N-[2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]-benzamideBRD-K01402789-001-01-7
Show more names
transNemonaprideNemonapride Impurity 1（trans-Nemonapride）trans-5-Chloro-2-Methoxy-4-(MethylaMino)-N-[2-Methyl-1- (phennylMethyl)-3-pyrrolidinyl]benzaMiderel-5-Chloro-2-Methoxy-4-(MethylaMino)-N-[(2R,3S)-2-Methyl-1-(phennylMethyl)-3-pyrrolidinyl]benzaMideBenzamide, 5-chloro-2-methoxy-4-(methylamino)-N-[(2R,3S)-2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]-, rel-
N-[(2S,3R)-1-benzyl-2-methyl-pyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
Database identifiers
- CAS
752154-64-6- PubChem CID
- 6604906
- DTXSID
DTXSID40424988- ChEMBL
CHEMBL1553422- Nikkaji
- J375.873G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Melting point
- 131 · 131-133°C
- Boiling point
- 514.941 · 514.941±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.234 · 1.234±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.686 · 13.686±0.40(predicted)
- form
- Solid
- color
- Pale Brown
Chemistry & industry
Applications
UsesA selective dopamine D2 receptor antagonist. Used as an antipsychotic
Usestrans-Nemonapride is a selective dopamine D2 receptor antagonist. trans-Nemonapride is used as an antipsychotic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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