Basic information
- CAS
21735-94-4- Standard SMILES
C[N+]1(C)C2CCC1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[I-]- InChIKey
XOXFLDFMLLOORP-UHFFFAOYSA-M- Molecular formula
- C23H28INO3
- Average molar mass
- 493.4 g/mol
- Monoisotopic mass
- 493.11139
Names & identifiers
- Preferred name
- Benziloyltropine methyliodide
- IUPAC
- (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate iodide
- English name
- (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-3-yl) 2-hydroxy-2,2-diphenyl-acetate iodide
- Molecular formula
- C23H28INO3
- Molecular weight
- 0
Names & synonyms
21735-94-4Benziloyltropine methyliodide8-Azoniabicyclo(3.2.1)octane, 3-((hydroxydiphenylacetyl)oxy)-8,8-dimethyl-, iodide, endo-RefChem:9169011-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-methyl-, iodide, benzilate (ester)63977-83-3(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;iodide(8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCT-3-YL) 2-HYDROXY-2,2-DIPHENYL-ACETATE IODIDEN-160DTXSID30944347DB-2150833-{[Hydroxy(diphenyl)acetyl]oxy}-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium iodide
Show more names
3-{[Hydroxydi(phenyl)acetyl]oxy}-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium iodide
Database identifiers
- CAS
21735-94-4、63977-83-3- PubChem CID
- 192995
- DTXSID
DTXSID30944347
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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