Basic information
- CAS
63977-79-7- Standard SMILES
C[N+]1(Cc2ccc(-c3ccccc3)cc2)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2.[Br-]- InChIKey
GKNRMQPJBGGXIA-UHFFFAOYSA-M- Molecular formula
- C29H32BrNO3
- Average molar mass
- 522.5 g/mol
- Monoisotopic mass
- 521.15656
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Tropanium, 8-(p-biphenylylmethyl)-3-hydroxy-, bromide, maleate (ester)
- IUPAC
- [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate bromide
Names & synonyms
4-Phenyl-benzyl(dl-mandelyl-tropinium)bromideN-31063977-79-71-alpha-H,5-alpha-H-Tropanium, 8-(p-biphenylylmethyl)-3-hydroxy-, bromide, maleate (ester)RefChem:227456DTXSID709814388-[([1,1'-Biphenyl]-4-yl)methyl]-3-{[hydroxy(phenyl)acetyl]oxy}-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide
Database identifiers
- CAS
63977-79-7- PubChem CID
- 3048748
- DTXSID
DTXSID70981438
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…