General Information of the Compound
| Compound ID |
CP0041772
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
Subsys
1-Phenethyl-4-N-propionylanilinopiperidine
437-38-7
Abstral
Actiq
Duragesic
Duragesic-100
Duragesic-12
Duragesic-25
Duragesic-50
Duragesic-75
Durogesic
Fentanest
Fentanil
Fentanil [DCIT]
Fentanila
Fentanila [INN-Spanish]
Fentanyl
Fentanyl Citrate
Fentanyl Citrate Preservative Free
Fentanyl-100
Fentanyl-12
Fentanyl-25
Fentanyl-37
Fentanyl-50
Fentanyl-62
Fentanyl-75
Fentanyl-87
Fentanylum
Fentanylum [INN-Latin]
Fentora
IONSYS
Lazanda
Matrifen
N-(1-Phenethyl-4-piperidyl)propionanilide
N-(1-Phenethylpiperidin-4-yl)-N-phenylpropionamide
N-Phenethyl-4-(N-propionylanilino)piperidine
Onsolis
Phentanyl
Sentonil
Sublimase
Sublimaze
Sublimaze Preservative Free
fentanyl
fentanyl (transmucosal film, pain), Auxilium Pharmaceuticals
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N2O
|
||||||||||||||||||
| Molecular Weight |
336.479
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJMPHNIQZUBGLI-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
437-38-7
80832-90-2
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT03795, Solute carrier family 22 member 1
Clinical Information about the Compound