Tropine benzylate
Basic information
- CAS
3736-36-5- Standard SMILES
CN1[C@@H]2CC[C@H]1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2- InChIKey
XXVZGWNHSCGMCT-PMOLBWCYSA-N- Molecular formula
- C22H25NO3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.18344366
Overview
See also: Glipin (annotation moved to).
Names & identifiers
- Preferred name
- Tropine benzylate
- IUPAC
- [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
- English name
- Tropine benzilate
- Molecular formula
- C22H25NO3
- Molecular weight
- 351.44
Names & synonyms
Tropine benzylate3736-36-5Tropine benzilateendo-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2,2-diphenylacetateGlipin3M2OLH58KETropinbenzilatBenzilsaeuretropinester[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenylacetateGlypinBenzziloyl tropeinUNII-3M2OLH58KE
Show more names
BTEBETEGlykinTrospium Chloride Impurity 5α-Hydroxy-α-phenylbenzeneacetic acid (1R,5S)-tropan-3α-yl ester8-Methyl-8-aza-bicyclo[3.2.1]octan-3-yl 2-hydroxy-2,2-diphenylacetate
BENZTROPEINETrospium Impurity 173alpha(1alphaH,5alphaH)-TropanylbenzilatBENZTROPEINE [WHO-DD]TROPINE BENZYLATE [MI]SCHEMBL4002813SCHEMBL4888510SCHEMBL4888518
Database identifiers
- CAS
3736-36-5- PubChem CID
- 1138166
- DTXSID
DTXSID70958468- ChEMBL
CHEMBL1906907- UNII
- 3M2OLH58KE
- Nikkaji
- J313.856I、J8.237F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 152 · 152-153°
- Boiling point
- 444.7 · 444.7±34.0 °C(Predicted)
- Density
- 1.23 · 1.23
- pka
- 11.29 · 11.29±0.29(Predicted)
- FDA UNII
- 3 M2OLH58KE · 3M2OLH58KE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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