Pilocarpidine nitrate
Basic information
- CAS
13698-29-8- Standard SMILES
CC[C@@H]1C(=O)OC[C@@H]1Cc1cnc[nH]1.O=[N+]([O-])O- InChIKey
OUJGJTNBZXOHFB-KUSKTZOESA-N- Molecular formula
- C10H15N3O5
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.10117059
Names & identifiers
- Preferred name
- Pilocarpidine nitrate
- IUPAC
- (3S,4R)-3-ethyl-4-(1H-imidazol-5-ylmethyl)oxolan-2-one;nitric acid
Names & synonyms
13698-29-8Pilocarpidine nitratePilocarpidine, nitrateDTXSID20929608Nitric acid--3-ethyl-4-[(1H-imidazol-5-yl)methyl]oxolan-2-one (1/1)Nitric acid--(3S,4R)-3-ethyl-4-[(1H-imidazol-5-yl)methyl]oxolan-2-one (1/1)
Database identifiers
- CAS
13698-29-8- PubChem CID
- 117404
- DTXSID
DTXSID20929608
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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