Basic information
- CAS
147441-56-3- Standard SMILES
COc1cccc(C2(O)CCCCC2C[N+](C)(C)[O-])c1- InChIKey
HBXKSXMNNGHBEA-UHFFFAOYSA-N- Molecular formula
- C16H25NO3
- Average molar mass
- 279.37 g/mol
Names & identifiers
- Preferred name
- 1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
- IUPAC
- 1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
Names & synonyms
Tramadol N-OxideSCHEMBL14538790HBXKSXMNNGHBEA-UHFFFAOYSA-N147441-56-31-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
Database identifiers
- CAS
147441-56-3- PubChem CID
- 22016064
- EC Number
- 641-580-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Safety & regulation
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
Uses & manufacturing
Use ClassificationPharmaceuticals -> Transformation products
Related reactions
5 records
Compound notes
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