Primary record
Deuterated s-lisofylline
- CAS
- 1268605-91-9
- PubChem CID
- 51041322
- SMILES
- [2H]C([2H])([2H])[C@@H](C([2H])([2H])CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
- Molecular Formula
- C13H20N4O3
- Molecular Weight
- 285.3585
- Exact Mass
- 285.1849
- InChI
- InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1/i1D3,6D2
- InChIKey
- NSMXQKNUPPXBRG-WHPHVCHMSA-N
- LogP
- -0.0152
- TPSA
- 82.05
Names and synonyms
- Deuterated s-lisofylline
- Pcs-499
- CTP-499
- FLV771E8ZV
- UNII-FLV771E8ZV
- RefChem:170506
- PCS499
- SCHEMBL173235
- CTP 499
- orb1697650
- CHEMBL4297371
- AKOS040751330
- DB15122
- 1268605-91-9
- 1-((5S)-5-hydroxy(4,4,6,6,6-2H5)hexyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- 1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1-((5S)-5-HYDROXYHEXYL-4,4,6,6,6-D5)-3,7-DIMETHYL-
- 3,7-DIHYDRO-1-((5S)-5-HYDROXYHEXYL-4,4,6,6,6-D5)-3,7-DIMETHYL-1H-PURINE-2,6-DIONE