Pyridine, 4-(2,2-dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)-, ethanedioate (1:2), cis-(+-)-
Basic information
- CAS
74650-46-7- Standard SMILES
CC1(C)N[C@@H](c2ccc(F)cc2)C[C@H]1c1ccncc1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
GHEIMCVQUYJDSR-SLAHTUFOSA-N- Molecular formula
- C21H23FN2O8
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 450.14384386
Names & identifiers
- Preferred name
- Pyridine, 4-(2,2-dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)-, ethanedioate (1:2), cis-(+-)-
- IUPAC
- 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine;oxalic acid
Names & synonyms
cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)Pyridine, 4-(2,2-dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)-, ethanedioate (1:2), cis-(+-)-74650-46-7DTXSID40225639RefChem:376765DTXCID20148130Oxalic acid--4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine (2/1)
Database identifiers
- CAS
74650-46-7- PubChem CID
- 3058151
- DTXSID
DTXSID40225639
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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