7-[3-(4-Benzhydryloxypiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
113418-56-7- Standard SMILES
Cn1c(=O)c2c(ncn2CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)n(C)c1=O- InChIKey
YNDYDETWRDHMLW-UHFFFAOYSA-N- Molecular formula
- C28H33N5O3
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.25833993
Names & identifiers
- Preferred name
- 7-[3-(4-Benzhydryloxypiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione
- IUPAC
- 7-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione
- English name
- 3,7-Dihydro-1,3-dimethyl-7-[3-[4-(diphenylmethoxy)-1-piperidinyl]propyl]-1H-purine-2,6-dione
- Molecular formula
- C28H33N5O3
- Molecular weight
- 487.59
Names & synonyms
Wy 49051113418-56-77-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dioneWy-49051orb1708213SCHEMBL9620681NEA41856MFCD008764017-[3-(4-benzhydryloxy-1-piperidyl)propyl]-1,3-dimethyl-purine-2,6-dioneAKOS040740578CS-6760Wy 49051?
Show more names
Wy 49051, 10 mM in DMSO3,7-Dihydro-1,3-dimethyl-7-[3-[4-(diphenylmethoxy)-1-piperidinyl]propyl]-1H-purine-2,6-dione1H-Purine-2,6-dione, 7-[3-[4-(diphenylmethoxy)-1-piperidinyl]propyl]-3,7-dihydro-1,3-dimethyl-
DA-78994TS-07912HY-101830F94182T133527-(3-(4-(Benzhydryloxy)piperidin-1-yl)propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione7-[3-[4-(Diphenylmethoxy)-1-piperidinyl]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Database identifiers
- CAS
113418-56-7- PubChem CID
- 6918138
- Nikkaji
- J363.892H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 727
Physicochemical properties
- Boiling point
- 672.7 · 672.7±65.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 8.32 · 8.32±0.10(Predicted)
- color
- Light yellow to yellow
Chemistry & industry
Applications
UsesWy 49051 is a potent, orally active H1 receptor antagonist, with IC50 of 44 nM.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…