Atropine nitrate
Basic information
- CAS
7459-97-4- Standard SMILES
CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])O- InChIKey
MJYHSOCPRKVNKH-UHFFFAOYSA-N- Molecular formula
- C17H24N2O6
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.16343649
Names & identifiers
- Preferred name
- Atropine nitrate
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;nitric acid
- English name
- atropine nitrate
- Molecular formula
- C17H24N2O6
- Molecular weight
- 352.39
Names & synonyms
Atropine nitrateEINECS 231-242-77459-97-4RefChem:320250231-242-7SCHEMBL457440DTXSID80996098MJYHSOCPRKVNKH-UHFFFAOYSA-NNitric acid--8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate (1/1)1αH,5αH-Tropan-3α-ol (±)-tropate nitrate
Database identifiers
- CAS
7459-97-4- PubChem CID
- 64659
- DTXSID
DTXSID80996098- EC Number
- 231-242-7
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 378
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Related reactions
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Compound notes
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