2-Fluoro-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-10-ol--hydrogen chloride (1/1)
Basic information
- CAS
53757-98-5- Standard SMILES
C[NH+]1C2CCC1[C@H]1[C@H](O)c3cc(F)ccc3[C@H]1C2.[Cl-]- InChIKey
DAVZSUQXAKKONP-SYNWZPMQSA-N- Molecular formula
- C15H19ClFNO
- Average molar mass
- 283.77 g/mol
- Monoisotopic mass
- 283.1139201
Names & identifiers
- Preferred name
- 2-Fluoro-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-10-ol--hydrogen chloride (1/1)
- IUPAC
- (2S,3S,10S)-6-fluoro-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-ol chloride
Names & synonyms
DTXSID709685222-Fluoro-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-10-ol--hydrogen chloride (1/1)RefChem:1063094DTXCID40139609653757-98-5Benz(a)azulen-6,9-imin-10-ol, 4b,5,6,7,8,9,9a,10-octahydro-2-fluoro-11-methyl-, hydrochloride, (4bs-(4b-alpha,6-beta,9-beta,9a-alpha,10-beta))-
Database identifiers
- CAS
53757-98-5- PubChem CID
- 40870
Properties
Computed structural properties
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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