Methanesulfonic acid--1-(8-hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-yl)octan-3-one (1/1)
Basic information
- CAS
73789-00-1- Standard SMILES
CCCCCC(=O)CCC1(C)C2Cc3ccc(O)cc3C1(C)CCN2C.CS(=O)(=O)O- InChIKey
CQSTVPYARYSBNS-UHFFFAOYSA-N- Molecular formula
- C24H39NO5S
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.25489452
Names & identifiers
- Preferred name
- Methanesulfonic acid--1-(8-hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-yl)octan-3-one (1/1)
- IUPAC
- 1-(4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)octan-3-one;methanesulfonic acid
Names & synonyms
SCHEMBL122488DTXSID90994722Methanesulfonic acid--1-(8-hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-yl)octan-3-one (1/1)
Database identifiers
- CAS
73789-00-1- PubChem CID
- 52446
- DTXSID
DTXSID90994722
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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