Basic information
- CAS
83829-76-9- Standard SMILES
CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc31)C2(C)C- InChIKey
ZDXGFIXMPOUDFF-UHFFFAOYSA-N- Molecular formula
- C20H29NO2
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.21982917
Names & identifiers
- Preferred name
- 6-Ethyl-1,2,3,4,5,6-hexahydro-3-((1-hydroxycyclopropyl)methyl)-11,11-dimethyl-2,6-methano-3-benzazocin-8-ol
- IUPAC
- 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
6-Ethyl-1,2,3,4,5,6-hexahydro-3-((1-hydroxycyclopropyl)methyl)-11,11-dimethyl-2,6-methano-3-benzazocin-8-ol83829-76-96-Ethyl-1,2,3,4,5,6-hexahydro-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-2,6-methano-3-benzazocin-8-olRefChem:1073915CHEMBL35038471990-00-6(+/-)-BremazocineBREMAZOCINE(-)SCHEMBL11246286SCHEMBL29726012DTXSID50868536BDBM50013388
Show more names
NS00127153L000925Q49605061-ethyl-10-[(1-hydroxycyclopropyl)methyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol2,6-Methano-3-benzazocin-8-ol,6-ethyl-1,2,3,4,5,6-hexahydro-3-((1-hydroxycyclopropyl)methyl)-11,11-dimethyl2,6-Methano-3-benzazocin-8-ol,6-ethyl-1,2,3,4,5,6-hexahydro-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-, (2R)-6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol6-Ethyl-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Database identifiers
- CAS
83829-76-9- PubChem CID
- 1223
- DTXSID
DTXSID50868536
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
Experimental & physicochemical properties
LogP2.05
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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