Chinteina
Basic information
- CAS
60662-75-1- Standard SMILES
C=CC1CN2CCC1CC2[C@@H]([O-])c1ccnc2ccc(OC)cc12.Cn1c2c(c(=O)n(C)c1=O)[NH+](CC(=O)O)C=N2- InChIKey
KXEPDDXUAHPZGE-CMBGXTLHSA-O- Molecular formula
- C29H34N6O6
- Average molar mass
- 562.6 g/mol
- Monoisotopic mass
- 562.25398283
Names & identifiers
- Preferred name
- Chinteina
- IUPAC
- 2-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ium-7-yl)acetic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolate
Names & synonyms
Chinteina
Database identifiers
- CAS
60662-75-1- PubChem CID
- 185986
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 938
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Compound notes
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