9-Ethyl-1,3,7-trimethyluric acid
Basic information
- CAS
6287-59-8- Standard SMILES
CCn1c(=O)n(C)c2c(=O)n(C)c(=O)n(C)c21- InChIKey
QNOMKPPKXCFWOI-UHFFFAOYSA-N- Molecular formula
- C10H14N4O3
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.10659032
Names & identifiers
- Preferred name
- 9-Ethyl-1,3,7-trimethyluric acid
- IUPAC
- 9-ethyl-1,3,7-trimethylpurine-2,6,8-trione
Names & synonyms
9-Ethyl-1,3,7-trimethyluric acid6287-59-8KNP7U18WUWUric acid, 9-ethyl-1,3,7-trimethyl-MLS002638068NSC-8813NSC8813NSC 8813UNII-KNP7U18WUWUric acid, 9-ethyl-1,3,7-trimethyl- (8CI)CHEMBL1890265DTXSID70212037
Show more names
HMS3078B05SMR001547561ETHYL-1,3,7-TRIMETHYLURIC ACID, 9-9-Ethyl-1,3,7-trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione9-ETHYL-7,9-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE1H-PURINE-2,6,8(3H)-TRIONE, 9-ETHYL-7,9-DIHYDRO-1,3,7-TRIMETHYL-
Database identifiers
- CAS
6287-59-8- PubChem CID
- 94930
- DTXSID
DTXSID70212037- ChEMBL
CHEMBL1890265- UNII
- KNP7U18WUW
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 456
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Compound notes
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