8-Hydroxyamoxapine
Basic information
- CAS
61443-78-5- Standard SMILES
Oc1ccc2c(c1)N=C(N1CCNCC1)c1cc(Cl)ccc1O2- InChIKey
QDWNOKXUZTYVGO-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O2
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.0931045
Overview
8-Hydroxyamoxapine is a dibenzooxazepine.
Names & identifiers
- Preferred name
- 8-Hydroxyamoxapine
- IUPAC
- 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-3-ol
- English name
- 8-Hydroxy amoxapine
- Molecular formula
- C17H16ClN3O2
- Molecular weight
- 329.78
Names & synonyms
8-Hydroxyamoxapine61443-78-50D4T741I48DTXSID40210388Dibenz(b,f)(1,4)oxazepin-8-ol, 2-chloro-11-(1-piperazinyl)-RefChem:548153DTXCID40132879110-461-08-Hydroxy Amoxapine8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-3-ol8-HydroxyamoxapinUNII-0D4T741I48
Show more names
Amoxapine Impurity 16Amoxapine 8-Hydroxy Impurity8-hydroxy desmethyl Loxapine8-Hydroxy Amoxapine (8-Hydroxyamoxapin)Amoxapine Impurity 10 (8-Hydroxyamoxapine)Dibenz[b,f][1,4]oxazepin-8-ol, 2-chloro-11-(1-piperazinyl)-
8-Hydroxynorloxapine2-Chloro-11-(1-piperazinyl)-dibenz[b,f][1,4]oxazepin-8-olorb1693109SCHEMBL2738764CHEBI:143289QDWNOKXUZTYVGO-UHFFFAOYSA-NMFCD08703076AKOS030254515
Database identifiers
- CAS
61443-78-5- PubChem CID
- 43656
- DTXSID
DTXSID40210388- ChEBI
CHEBI:143289- UNII
- 0D4T741I48
- EC Number
- 110-461-0
- Nikkaji
- J348.015A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Melting point
- 242 · 242-247°C
- Boiling point
- 540 · 540.0±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 10.35 · 10.35±0.20(Predicted)
- color
- Pale Beige to Pale Yellow
- FDA UNII
- 0 D4T741I48 · 0D4T741I48
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
UsesA metabolite of Amoxapine.
Additional notes
DefinitionChEBI: 8-Hydroxyamoxapine is a dibenzooxazepine.
Suppliers
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Related reactions
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Compound notes
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