Basic information
- CAS
33484-47-8- Standard SMILES
CC1CCCc2n1c(=O)c(C(=O)O)c[n+]2C.COS(=O)(=O)[O-]- InChIKey
NDJXQSIBMZOJNL-UHFFFAOYSA-N- Molecular formula
- C12H18N2O7S
- Average molar mass
- 334.35 g/mol
- Monoisotopic mass
- 334.08347209
Names & identifiers
- Preferred name
- 4H-Pyrido(1,2-a)pyrimidinium, 6,7,8,9-tetrahydro-3-carboxy-1,6-dimethyl-4-oxo-, methyl sulfate
- IUPAC
- 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylic acid;methyl sulfate
Names & synonyms
Probon acid33484-47-8MZ-2114H-Pyrido(1,2-a)pyrimidinium, 6,7,8,9-tetrahydro-3-carboxy-1,6-dimethyl-4-oxo-, methyl sulfate6,7,8,9-Tetrahydro-3-carboxy-1,6-dimethyl-4-oxo-4H-pyrido(1,2-a)pyrimidinium methyl sulfateRefChem:2977923-carboxy-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfateSCHEMBL30151448
Database identifiers
- CAS
33484-47-8- PubChem CID
- 214565
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…