1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate
Basic information
- CAS
59921-92-5- Standard SMILES
O=C(CCC[NH+]1CCCC1)c1ccncc1.O=C(O)CC(O)(CC(=O)O)C(=O)[O-]- InChIKey
HDBDDARQHIHXLX-UHFFFAOYSA-N- Molecular formula
- C19H26N2O8
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.16891579
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-pyridyl)-4-(1-pyrrolidinyl)-, citrate
- IUPAC
- 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;1-pyridin-4-yl-4-pyrrolidin-1-ium-1-ylbutan-1-one
Names & synonyms
1-BUTANONE, 1-(4-PYRIDYL)-4-(1-PYRROLIDINYL)-, CITRATE1-Isonicotinoil-3-pirrolidinopropano citrato [Italian]59921-92-51-(4-Pyridyl)-4-(1-pyrrolidinyl)-1-butanone citrate1-Isonicotinoil-3-pirrolidinopropano citratoDTXSID20208642RefChem:228871DTXCID701311331-[4-Oxo-4-(pyridin-4-yl)butyl]pyrrolidin-1-ium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
Database identifiers
- CAS
59921-92-5- PubChem CID
- 43140
- DTXSID
DTXSID20208642
Properties
Computed structural properties
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 440
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…