Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
Basic information
- CAS
62510-46-7- Standard SMILES
C[N+]1([O-])CCN2c3ccccc3Cc3ccccc3C2C1- InChIKey
VVDXWJOYXVNLLQ-UHFFFAOYSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
- IUPAC
- 5-methyl-5-oxido-2-aza-5-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
- English name
- Mianserin N-Oxide
- Molecular formula
- C18H20N2O
- Molecular weight
- 280.36
Names & synonyms
62510-46-7Mianserin 2-OxideWWZ32657N1Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxideRefChem:1083362Mianserin N-OxideMianserin-N-OxideUNII-WWZ32657N11,2,3,4,10,14b-Hexahydro-2-methyldibenzo(c,f)pyrazino(1,2-a)azepine 2-oxide5-methyl-5-oxido-2-aza-5-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaeneMS-N OXIDEDTXSID70891482
Show more names
Mianserin Impurity 71,2,3,4,10,14b-Hexahydro-2-methyl-dibenzo[c,f]pyrazino[1,2-α]azepine 2-OxideDibenzo[c,f]pyrazino[1,2-a]azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
AKOS030242742AT52700FM259971,2,3,4,10,14b-Hexahydro-2-methyl-dibenzo[c,f]pyrazino[1,2-a]azepine 2-Oxide2-Methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine 2-oxideNS00000594Q272929782-Methyl-2-oxo-1,2,3,4,10,14b-hexahydro-2lambda~5~-dibenzo[c,f]pyrazino[1,2-a]azepine
Database identifiers
- CAS
62510-46-7- PubChem CID
- 3085244
- DTXSID
DTXSID70891482- UNII
- WWZ32657N1
- EC Number
- 641-897-4
- Nikkaji
- J524.182K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
DrugsPharmaceutical -> transformation product
Physicochemical properties
- Melting point
- 163 · 163-165°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 32657 N1 · WWZ32657N1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Chemistry & industry
Pharmacology
Metabolism/MetabolitesMianserin N-oxide is a known human metabolite of Mianserine.
Uses & manufacturing
Use ClassificationPharmaceuticals -> Transformation products
Applications
UsesA metabolite of Mianserin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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