Basic information
- CAS
22013-23-6- Standard SMILES
COc1ccc2c(c1)C(N1CCN(C)CC1)=Cc1ccccc1O2- InChIKey
GXGQMMZHTFRNBT-UHFFFAOYSA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16812795
Overview
Metoxepin is a small molecule drug. The usage of the INN stem '-oxepin' in the name indicates that Metoxepin is a tricyclic compound. Metoxepin has a monoisotopic molecular weight of 322.17 Da.
Names & identifiers
- Preferred name
- Metoxepin
- IUPAC
- 1-(3-methoxybenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
- English name
- Metoxepin
- Molecular formula
- C20H22N2O2
- Molecular weight
- 322.4
Names & synonyms
Metoxepin22013-23-6Metoxepin [INN]MetoxepinaMetoxepineMetoxepinum [INN-Latin]Metossepina [DCIT]MetossepinaMetoxepinumZ8EZK2DSITMetoxepine [INN-French]Metoxepina [INN-Spanish]
Show more names
1-(8-Methoxydibenz[b,f]oxepin-10-yl)-4-methylpiperazinePiperazine, 1-(8-methoxydibenz[b,f]oxepin-10-yl)-4-methyl-
UNII-Z8EZK2DSITRMI 61144BRN 05670921-(8-Methoxydibenz(b,f)oxepin-10-yl)-4-methylpiperazineDTXSID90176460Piperazine, 1-(8-methoxydibenz(b,f)oxepin-10-yl)-4-methyl-Metoxepine (INN-French)Metoxepinum (INN-Latin)
Database identifiers
- CAS
22013-23-6- PubChem CID
- 32226
- DTXSID
DTXSID90176460- ChEMBL
CHEMBL2106834- UNII
- Z8EZK2DSIT
- Nikkaji
- J10.799I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- FDA UNII
- 8 EZK2DSIT · Z8EZK2DSIT
Chemistry & industry
Suppliers1 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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