|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:28976_Adrenalin_TRADE_NAME,
synonym:28976_Adrenaline_BAN,
synonym:28976_Akpro_OTHER,
synonym:28976_Ana-Kit_TRADE_NAME,
synonym:28976_Bronkaid mist_TRADE_NAME,
synonym:28976_Epi e z pen jr_TRADE_NAME,
synonym:28976_Epinephrine Hydrochloride_JAN,
synonym:28976_Epinephrine_FDA_ALTERNATIVE_NAME,
synonym:28976_Epinephrine_INN,
synonym:28976_Epinephrine_JAN,
synonym:28976_Epinephrine_TRADE_NAME,
synonym:28976_Epinephrine_USAN,
synonym:28976_Epinephrine_USP,
synonym:28976_Epipen e z pen_TRADE_NAME,
synonym:28976_Epipen jr._TRADE_NAME,
synonym:28976_Epipen_TRADE_NAME,
synonym:28976_Levo-Methylaminoethanolcatechol_OTHER,
synonym:28976_Medihaler-Epi_OTHER,
synonym:28976_Primatene mist_TRADE_NAME,
synonym:28976_Propine_OTHER,
synonym:28976_Racepinephrine_OTHER,
synonym:28976_Sus-Phrine_TRADE_NAME,
synonym:28976_Sus-phrine sulfite-free_TRADE_NAME,
synonym:28976_Twinject 0.15_TRADE_NAME,
synonym:28976_Twinject 0.3_TRADE_NAME,
synonym:28976_Twinject_OTHER
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
|
|
chemicalCompound:standardIn... |
UCTWMZQNUQWSLP-VIFPVBQESA-N
|
|
chemicalCompound:canonicalS... |
CNC[C@H](O)c1ccc(O)c(O)c1
|
|
chemicalCompound:molecularF... |
C9H13NO3
|
|
chemicalCompound:moleculeId |
28976
|
|
chemicalCompound:mwFreebase |
183.204
|
|
chemicalCompound:alogp |
0.372
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
72.72
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.602
|
|
chemicalCompound:acdLogP |
-0.539
|
|
chemicalCompound:acdLogD |
-2.369
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
183.204
|
|
chemicalCompound:acdMostBpk... |
9.163
|
|
chemicalCompound:chemblId |
CHEMBL679
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
EPINEPHRINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:111404,
activity:193283,
activity:193284,
activity:193285,
activity:193286,
activity:259912,
activity:480181,
activity:480182,
activity:480183,
activity:504040,
activity:504041,
activity:504042,
activity:518586,
activity:518587,
activity:518588,
activity:518589,
activity:518590,
activity:518591,
activity:645299,
activity:645300,
activity:645301,
activity:645302,
activity:729571,
activity:729572,
activity:729573,
activity:756572,
activity:756573,
activity:756574,
activity:756575,
activity:838954,
activity:838955,
activity:838956,
activity:838957,
activity:846299,
activity:846300,
activity:846301,
activity:846302,
activity:885791
|
