Atropine octabromide
Basic information
- CAS
5843-82-3- Standard SMILES
CCCCCCCC[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-]- InChIKey
DLZGOGBFEPLEJA-UHFFFAOYSA-M- Molecular formula
- C25H40BrNO3
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 481.21916
Overview
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Names & identifiers
- Preferred name
- Atropine octabromide
- IUPAC
- (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide
Names & synonyms
Atropine octabromide5843-82-3DTXSID30973975DLZGOGBFEPLEJA-UHFFFAOYSA-M(8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;bromide3-[(3-HYDROXY-2-PHENYLPROPANOYL)OXY]-8-METHYL-8-OCTYL-8-AZABICYCLO[3.2.1]OCTAN-8-IUM BROMIDE
Database identifiers
- CAS
5843-82-3- PubChem CID
- 22105
- DTXSID
DTXSID30973975
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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