Basic information
- CAS
19039-41-9- Standard SMILES
Cn1c(=O)n(C)c2c(=O)[nH]c(=O)[nH]c21- InChIKey
ZWFQLYWQCGUUNB-UHFFFAOYSA-N- Molecular formula
- C7H8N4O3
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.05964013
Overview
7,9-Dimethyluric acid is an oxopurine.
Names & identifiers
- Preferred name
- 7,9-Dihydro-7,9-dimethyl-1H-purine-2,6,8(3H)-trione
- IUPAC
- 7,9-dimethyl-3H-purine-2,6,8-trione
- English name
- 7,9-dihydro-7,9-dimethyl-1H-purine-2,6,8(3H)-trione
- Molecular formula
- C7H8N4O3
- Molecular weight
- 196.16342
Names & synonyms
19039-41-97,9-Dihydro-7,9-dimethyl-1H-purine-2,6,8(3H)-trione7,9-Dimethyluric acid7,9-dimethyl-3H-purine-2,6,8-trione7,9-dimethyl-7,9-dihydro-1h-purine-2,6,8(3h)-trioneEINECS 242-772-37,9-DimethylharnsaureSCHEMBL8576638DTXSID70172521CHEBI:173964ZWFQLYWQCGUUNB-UHFFFAOYSA-N7J57Y7C29U
Show more names
7,9-Dimethyl-7H-purine-2,6,8(1H,3H,9H)-trione
7,9-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trioneAKOS006271488NS000262231H-Purine-2,6,8(3H)-trione, 7,9-dihydro-7,9-dimethyl-
Database identifiers
- CAS
19039-41-9- PubChem CID
- 87909
- DTXSID
DTXSID70172521- ChEBI
CHEBI:173964- UNII
- 7J57Y7C29U
- EC Number
- 242-772-3
- Nikkaji
- J224.837I
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: 7,9-Dimethyluric acid is an oxopurine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…