Coramine N-oxide
Basic information
- CAS
20165-96-2- Standard SMILES
CCN(CC)C(=O)c1ccc[n+]([O-])c1- InChIKey
QVMCONZXDUORQS-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Names & identifiers
- Preferred name
- Coramine N-oxide
- IUPAC
- N,N-diethyl-1-oxidopyridin-1-ium-3-carboxamide
- English name
- BRN 0393315
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
20165-96-2Coramine N-oxideDTXSID601347714RefChem:1082214DTXCID7017764493-(diethylcarbamoyl)pyridine 1-oxideNicotinamide, N,N-diethyl-, N-oxideNikethamide Impurity 23-Pyridinecarboxamide, N,N-diethyl-, 1-oxideN,N-diethyl-1-oxidopyridin-1-ium-3-carboxamide3-(DIETHYLCARBAMOYL)PYRIDIN-1-IUM-1-OLATEBRN 0393315
Show more names
Nikethamide N-oxideNikethamide ImpurityNicathamide impurity 2Nicoxamine nitrogen oxidenikethamide crude impurity CN,N-Diethylnicotinamide 1-oxideCoramine N-oxide【pharmaceutical】
Coramine-N-oxideSCHEMBL8778092BS-47708NS00096975F77082
Database identifiers
- CAS
20165-96-2- PubChem CID
- 88385
- DTXSID
DTXSID601347714- Nikkaji
- J28.576E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Nikethamide
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Toxicity
- 50 · mouse,LD50,intravenous,650mg/kg (650mg/kg),Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 269, Pg. 394, 1969.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mouse,LD50,intravenous,650mg/kg (650mg/kg),Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 269, Pg. 394, 1969.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
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Compound notes
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