Mazapertine
Basic information
- CAS
134208-17-6- Standard SMILES
CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1- InChIKey
ZKZFPRUSWCYSGT-UHFFFAOYSA-N- Molecular formula
- C26H35N3O2
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.27292737
Overview
Mazapertine is a small molecule drug. Mazapertine has a monoisotopic molecular weight of 421.27 Da.
Names & identifiers
- Preferred name
- Mazapertine
- IUPAC
- piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
- English name
- Mazapertine
- Molecular formula
- C26H35N3O2
- Molecular weight
- 421.582
Names & synonyms
Mazapertine134208-17-6Mazapertine [INN]UNII-N0X1XW704PmazapertinaN0X1XW704PRWJ-377796MAZAPERTINE [WHO-DD]DTXSID401585941-(.ALPHA.-(4-(O-ISOPROPOXYPHENYL)-1-PIPERAZINYL)-M-TOLUOYL)PIPERIDINEPIPERIDINE, 1-(3-((4-(2-(1-METHYLETHOXY)PHENYL)-1-PIPERAZINYL)METHYL)BENZOYL)-mazapertinum
Show more names
RefChem:156022DTXCID70810851-(ALPHA-(4-(O-ISOPROPOXYPHENYL)-1-PIPERAZINYL)-M-TOLUOYL)PIPERIDINEpiperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanoneCHEMBL100851-{[3-(piperidine-1-carbonyl)phenyl]methyl}-4-[2-(propan-2-yloxy)phenyl]piperazineSCHEMBL636631ZKZFPRUSWCYSGT-UHFFFAOYSA-N
Database identifiers
- CAS
134208-17-6- PubChem CID
- 60820
- DTXSID
DTXSID40158594- ChEMBL
CHEMBL10085- UNII
- N0X1XW704P
- Nikkaji
- J587.525K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- FDA UNII
- 0 X1XW704P · N0X1XW704P
Chemistry & industry
Applications
UsesAntipsychotic.
Related reactions
1 records
Compound notes
Loading…