Basic information
- CAS
91463-82-0- Standard SMILES
CN1CCO[C@H](c2ccccc2)c2ccccc2C1- InChIKey
RGPDEAGGEXEMMM-QGZVFWFLSA-N- Molecular formula
- C17H19NO
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.14666423
Names & identifiers
- Preferred name
- (-)-Nefopam
- IUPAC
- (1R)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
- English name
- (-)-Nefopam
- Molecular formula
- C17H19NO
- Molecular weight
- 253.34
Names & synonyms
(-)-Nefopam91463-82-0Nefopam, (R)-Y6JK42VH5U(1R)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocineR-NEFOPAM(R)-(-)-NefopamNCGC00016778-01UNII-Y6JK42VH5UCAS-23327-57-3CHEMBL1366831SCHEMBL14022473
Show more names
SCHEMBL29517034DTXSID90238577(1R)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine(1R)-5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine1H-2,5-BENZOXAZOCINE, 3,4,5,6-TETRAHYDRO-5-METHYL-1-PHENYL-, (1R)-1H-2,5-BENZOXAZOCINE, 3,4,5,6-TETRAHYDRO-5-METHYL-1-PHENYL-, (R)-
Database identifiers
- CAS
91463-82-0- PubChem CID
- 176540
- DTXSID
DTXSID90238577- ChEMBL
CHEMBL1366831- UNII
- Y6JK42VH5U
- Nikkaji
- J291.244I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 369.5 · 369.5±37.0 °C(Predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- pka
- 9.16 · 9.16±0.70(Predicted)
- FDA UNII
- 6 JK42VH5U · Y6JK42VH5U
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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