Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01491"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"Dipipanone"
|
| drugbank:interactsWith | |
| owl:sameAs | |
| drugbank:description |
"
467-83-4
experimental
illicit
This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Diphenylmethanes
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Diphenylmethanes
Phenylpropylamines
Piperidines
Tertiary Amines
Ketones
Polyamines
Enolates
phenylpropylamine
piperidine
tertiary amine
ketone
enolate
polyamine
organonitrogen compound
amine
carbonyl group
DB06274
Alvimopan
Increases levels by receptor binding competition. Discontinue opioid administration at least 7 days prior to administrating Alvimopan.
logP
5.28
ALOGPS
logS
-5.7
ALOGPS
Water Solubility
7.57e-04 g/l
ALOGPS
logP
5.86
ChemAxon
IUPAC Name
4,4-diphenyl-6-(piperidin-1-yl)heptan-3-one
ChemAxon
Traditional IUPAC Name
dipipanone
ChemAxon
Molecular Weight
349.509
ChemAxon
Monoisotopic Weight
349.240564619
ChemAxon
SMILES
CCC(=O)C(CC(C)N1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
ChemAxon
Molecular Formula
C24H31NO
ChemAxon
InChI
InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3
ChemAxon
InChIKey
InChIKey=SVDHSZFEQYXRDC-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
20.31
ChemAxon
Refractivity
109.41
ChemAxon
Polarizability
41.57
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
18.77
ChemAxon
pKa (strongest basic)
9.3
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
13331
PubChem Substance
46508855
ChemSpider
12766
Wikipedia
Dipipanone
"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource appears as object in 2 triples