Basic information
- CAS
83829-76-9- Standard SMILES
CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C- InChIKey
ZDXGFIXMPOUDFF-DIAVIDTQSA-N- Molecular formula
- C20H29NO2
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.21982917
Names & identifiers
- Preferred name
- dl-Bremazocine
- IUPAC
- (9R)-1-ethyl-10-[(1-hydroxycyclopropyl)methyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Names & synonyms
dl-BremazocineBremazocine [INN](+-)-BremazocineUNII-ISF76M2DBECHEMBL17976872,6-Methano-3-benzazocin-8-ol, 6-ethyl-1,2,3,4,5,6-hexahydro-3-((1-hydroxycyclopropyl)methyl)-11,11-dimethyl-SCHEMBL29707805ZDXGFIXMPOUDFF-DIAVIDTQSA-NBDBM50347177PDSP1_001435PDSP2_001419
Database identifiers
- CAS
83829-76-9- PubChem CID
- 107697
- ChEMBL
CHEMBL1797687- Nikkaji
- J18.646E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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