Cinepaxadil
Basic information
- CAS
69118-25-8- Standard SMILES
COc1cc(/C=C/C(=O)N2CCN(CC(O)COc3ccc(C(C)=O)c4c3OCCO4)CC2)cc(OC)c1OC- InChIKey
SYFDPNLESAYNCB-VMPITWQZSA-N- Molecular formula
- C29H36N2O9
- Average molar mass
- 556.6 g/mol
- Monoisotopic mass
- 556.24208073
Names & identifiers
- Preferred name
- Cinepaxadil
- IUPAC
- (E)-1-[4-[3-[(8-acetyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-2-hydroxypropyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- English name
- cinepaxadil
- Molecular formula
- C29H36N2O9
- Molecular weight
- 556.61
Names & synonyms
Cinepaxadil69118-25-8Cinepaxadil [INN]CinepaxadilumCinepaxadilum [Latin]UNII-E052L8N506EINECS 273-876-7E052L8N506Cinepaxadilum (Latin)alpha-(((8-Acetyl-1,4-benzodioxan-5-yl)oxy)methyl)-4-(3,4,5-trimethoxycinnamoyl)-1-piperazineethanol.ALPHA.-(((8-ACETYL-1,4-BENZODIOXAN-5-YL)OXY)METHYL)-4-(3,4,5-TRIMETHOXYCINNAMOYL)-1-PIPERAZINEETHANOLRefChem:126209
Show more names
α-[[(8-Acetyl-1,4-benzodioxan-5-yl)oxy]methyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-1-piperazineethanol
273-876-7(E)-1-[4-[3-[(8-acetyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-2-hydroxypropyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-oneSCHEMBL2732728CHEMBL2104490SYFDPNLESAYNCB-VMPITWQZSA-NAKOS040751190T30940Q27276690
Database identifiers
- CAS
69118-25-8- PubChem CID
- 6436099
- ChEMBL
CHEMBL2104490- UNII
- E052L8N506
- EC Number
- 273-876-7
- Nikkaji
- J32.846D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 835
Physicochemical properties
- Boiling point
- 793.646 · 793.646±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.93 · 13.930±0.20(predicted)
- FDA UNII
- 52 L8N506 · E052L8N506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…