Basic information
- CAS
145414-12-6- Standard SMILES
CC1CCN(C[C@H]2CCCC[C@H]2NC(=O)c2cc(Cl)c(N)cc2OCC2CC2)CC1- InChIKey
PPVTTWPBNHFCAJ-XMSQKQJNSA-N- Molecular formula
- C24H36ClN3O2
- Average molar mass
- 434 g/mol
- Monoisotopic mass
- 433.2496051
Overview
Lirexapride is a small molecule drug. The usage of the INN stem '-pride' in the name indicates that Lirexapride is a sulpiride derivative and analogue. Lirexapride has a monoisotopic molecular weight of 433.25 Da.
Names & identifiers
- Preferred name
- Lirexapride
- IUPAC
- 4-amino-5-chloro-2-(cyclopropylmethoxy)-N-[(1R,2R)-2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide
Names & synonyms
LirexaprideLirexapride [INN]145414-12-6lirexapridaUNII-N33SZ2N85MN33SZ2N85MDTXSID201630054-AMINO-5-CHLORO-.ALPHA.-CYCLOPROPYL-N-((1R,2R)-2-((4-METHYLPIPERIDINO)METHYL)CYCLOHEXYL)-O-ANISAMIDE4-Amino-5-chloro-alpha-cyclopropyl-N-((1R,2R)-2-((4-methylpiperidino)methyl)cyclohexyl)-o-anisamidelirexapridumRefChem:153646DTXCID6085496
Show more names
4-amino-5-chloro-2-(cyclopropylmethoxy)-N-[(1R,2R)-2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide4-amino-5-chloro-2-(cyclopropylmethoxy)-N-((1R,2R)-2-((4-methylpiperidin-1-yl)methyl)cyclohexyl)benzamide4-Amino-5-chloro-2-(cyclopropylmethoxy)-N-{(1R,2R)-2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl}benzamideSCHEMBL384567orb1696440CHEMBL2107144AKOS040752601NS00124455
Database identifiers
- CAS
145414-12-6- PubChem CID
- 3045376
- DTXSID
DTXSID20163005- ChEMBL
CHEMBL2107144- UNII
- N33SZ2N85M
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…