Metiapine
Basic information
- CAS
5800-19-1- Standard SMILES
Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1S2- InChIKey
IOEPXYJOHIZYGQ-UHFFFAOYSA-N- Molecular formula
- C19H21N3S
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.14561886
Overview
Metiapine is a small molecule drug. Metiapine has a monoisotopic molecular weight of 323.15 Da.
Names & identifiers
- Preferred name
- Metiapine
- IUPAC
- 8-methyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
- English name
- Metiapine
- Molecular formula
- C19H21N3S
- Molecular weight
- 323.46
Names & synonyms
Metiapine5800-19-1MetiapinaMetiapinumDTXSID7020891775D6D91J8DIBENZO(b,f)(1,4)THIAZEPINE, 2-METHYL-11-(4-METHYL-1-PIPERAZINYL)-RefChem:925821DTXCID908912-methyl-11-(4-methyl-1-piperazinyl)-dibenzo (b,f)(1,4)thiazepine8-methyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine2-Methyl-11-(4-methyl-1-piperazinyl)dibenzo(b,f)(1,4)thiazepine
Show more names
2-Methyl-11-(4-methylpiperazino)dibenzo[b,f][1,4]thiazepine8-methyl-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzothiazepineDibenzo[b,f][1,4]thiazepine, 2-methyl-11-(4-methyl-1-piperazinyl)-
2-Methyl-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepineMetiapina [INN-Spanish]Metiapine [USAN:INN]Metiapinum [INN-Latin]2-methyl-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepineBRN 0833849UNII-775D6D91J8METIAPINE [INN]
Database identifiers
- CAS
5800-19-1- PubChem CID
- 22047
- DTXSID
DTXSID7020891- ChEMBL
CHEMBL2106892- UNII
- 775D6D91J8
- Nikkaji
- J8.069A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 103 °C · 103°C
- Density
- 1.1651 · 1.1651 (rough estimate)
- refractive index
- 1.5605 · 1.5605 (estimate)
- FDA UNII
- 775 D6D91J8 · 775D6D91J8
Chemistry & industry
Applications
UsesAntipsychotic .
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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