Maroxepin
Basic information
- CAS
65509-24-2- Standard SMILES
CN1CCC2=C(CC1)c1ccccc1Oc1ccccc12- InChIKey
RLYFYCIACXEKPZ-UHFFFAOYSA-N- Molecular formula
- C19H19NO
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.14666423
Overview
Maroxepin is a small molecule drug. The usage of the INN stem '-oxepin' in the name indicates that Maroxepin is a tricyclic compound. Maroxepin has a monoisotopic molecular weight of 277.15 Da.
Names & identifiers
- Preferred name
- Maroxepin
- IUPAC
- 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2,4,6,9,11,13-heptaene
- English name
- Maroxepin
- Molecular formula
- C19H19NO
- Molecular weight
- 277.36
Names & synonyms
MaroxepinMaroxepineMaroxepinaMaroxepinum65509-24-2XG4094G0OYDTXSID20215811RefChem:155914DTXCID50138302Maroxepin [INN]2,3,4,5-Tetrahydro-3-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-d)azepineMaroxepine [French]
Show more names
1H-Dibenz[2,3:6,7]oxepino[4,5-d]azepine, 2,3,4,5-tetrahydro-3-methyl-
Maroxepinum [Latin]Maroxepina [Spanish]UNII-XG4094G0OY18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2,4,6,9,11,13-heptaeneorb1740555SCHEMBL2108201CHEMBL21047551H-Dibenz(2,3:6,7)oxepino(4,5-d)azepine, 2,3,4,5-tetrahydro-3-methyl-
Database identifiers
- CAS
65509-24-2- PubChem CID
- 68858
- DTXSID
DTXSID20215811- ChEMBL
CHEMBL2104755- UNII
- XG4094G0OY
- Nikkaji
- J363.052H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 427.2 · 427.2±44.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 8.93 · 8.93±0.20(Predicted)
- FDA UNII
- 4094 G0OY · XG4094G0OY
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Related reactions
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Compound notes
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