|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:19915_Duragesic-100_TRADE_NAME,
synonym:19915_Duragesic-12_TRADE_NAME,
synonym:19915_Duragesic-25_TRADE_NAME,
synonym:19915_Duragesic-50_TRADE_NAME,
synonym:19915_Duragesic-75_TRADE_NAME,
synonym:19915_Fentanyl-100_TRADE_NAME,
synonym:19915_Fentanyl-12_TRADE_NAME,
synonym:19915_Fentanyl-25_TRADE_NAME,
synonym:19915_Fentanyl-50_TRADE_NAME,
synonym:19915_Fentanyl-75_TRADE_NAME,
synonym:19915_Fentanyl_FDA_ALTERNATIVE_NAME,
synonym:19915_Fentanyl_INN,
synonym:19915_Fentora_OTHER,
synonym:19915_Fentora_TRADE_NAME,
synonym:19915_Innovar_OTHER,
synonym:19915_Ionsys_OTHER,
synonym:19915_Leptanal_TRADE_NAME,
synonym:19915_Oralet_TRADE_NAME,
synonym:19915_Sublimaze_TRADE_NAME
|
|
chemicalCompound:standardIn... |
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
|
|
chemicalCompound:standardIn... |
PJMPHNIQZUBGLI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3
|
|
chemicalCompound:molecularF... |
C22 H28 N2 O
|
|
chemicalCompound:moleculeId |
19915
|
|
chemicalCompound:mwFreebase |
336.471
|
|
chemicalCompound:alogp |
3.838
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
23.55
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.683
|
|
chemicalCompound:acdLogD |
2.607
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
336.471
|
|
chemicalCompound:acdMostBpk... |
8.921
|
|
chemicalCompound:chemblId |
CHEMBL596
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
FENTANYL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1990
|
|
chemicalCompound:activity |
activity:36527,
activity:36528,
activity:36529,
activity:36530,
activity:36531,
activity:36532,
activity:95000,
activity:95001,
activity:101806,
activity:101807,
activity:101808,
activity:101809,
activity:101810,
activity:101811,
activity:101812,
activity:101813,
activity:101814,
activity:101815,
activity:101816,
activity:101817,
activity:101818,
activity:101819,
activity:117189,
activity:117190,
activity:117191,
activity:119342,
activity:119343,
activity:119344,
activity:134911,
activity:134912,
activity:134913,
activity:134914,
activity:134915,
activity:134916,
activity:160163,
activity:160164,
activity:160165,
activity:160166,
activity:160167,
activity:160168,
activity:160169,
activity:160170,
activity:160171,
activity:160172,
activity:160173
|
