Rimazolium
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Basic information
- CAS
35615-72-6- Standard SMILES
CCOC(=O)c1c[n+](C)c2n(c1=O)C(C)CCC2- InChIKey
JOWRFSPJFXLGGY-UHFFFAOYSA-N- Molecular formula
- C13H19N2O3+
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.13956747
Overview
Rimazolium is a pyridopyrimidine.
Names & identifiers
- Preferred name
- Rimazolium
- IUPAC
- ethyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate
- English name
- 3-(ethoxycarbonyl)-6,7,8,9-tetrahydro-1,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidinium
- Molecular formula
- C13H19N2O3+
- Molecular weight
- 251.30156
Names & synonyms
RimazoliumRimazolium ionRimazolium cationProbonUNII-967Y95129AEINECS 252-644-9RIMAZOLIUM [WHO-DD]3-(Ethoxycarbonyl)-6,7,8,9-tetrahydro-1,6-dimethyl-4-oxo-4H-pyrido(1,2-a)pyrimidinium1,6-dimethyl-3-carbethoxy-4-oxo-6,7,8,9-tetrahydro-4H-homopyrimidazole3-(ethoxycarbonyl)-1,6-dimethyl-4-oxo-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-1-ium3-(ethoxycarbonyl)-6,7,8,9-tetrahydro-1,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidinium3-(ETHOXYCARBONYL)-6,7,8,9-TETRAHYDRO-1,6-DIMETHYL-4-OXO-4H-PYRIDO91,2-A)PYRIMIDINIUM
Show more names
3-(Ethoxycarbonyl)-6,7,8,9-tetrahydro-1,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-1-ium
3-(ethoxycarbonyl)-1,6-dimethyl-4-oxo-4H,6H,7H,8H,9H-pyrido(1,2-a)pyrimidin-1-iumRefChem:179462probon methyl sulfate saltMZ 14435615-72-6967Y95129Aethyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylateCHEMBL1182743
Database identifiers
- CAS
35615-72-6- PubChem CID
- 71940
- DTXSID
DTXSID20865436- ChEMBL
CHEMBL1182743- ChEBI
CHEBI:135025- UNII
- 967Y95129A
- EC Number
- 252-644-9
- Nikkaji
- J23.654C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 451
Physicochemical properties
- FDA UNII
- 967 Y95129A · 967Y95129A
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Additional notes
DefinitionChEBI: Rimazolium is a pyridopyrimidine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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