8-[4-(2-Hydroxyethyl)piperazin-1-yl]-1-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione
Basic information
- CAS
69408-12-4- Standard SMILES
Cn1c(N2CCN(CCO)CC2)nc2c1c(=O)n(CC(O)CN1CCN(CCO)CC1)c(=O)n2C- InChIKey
VYDMHDUSDZRXAE-UHFFFAOYSA-N- Molecular formula
- C22H38N8O5
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.29651634
Names & identifiers
- Preferred name
- 8-[4-(2-Hydroxyethyl)piperazin-1-yl]-1-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione
- IUPAC
- 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
Names & synonyms
69408-12-4NSC3266768-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione1-(2-Hydroxy-3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)-8-(4-(2-hydroxyethyl)piperazin-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione1-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-[4-(2-Hydroxyethyl)piperazin-1-yl]-1-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dioneDTXSID20318154NSC-326676DS-009257
Database identifiers
- CAS
69408-12-4- PubChem CID
- 331827
- DTXSID
DTXSID20318154
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 731
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…