|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:37493_Glyceryl Trinitrate_BAN,
synonym:37493_Glyceryl Trinitrate_INN,
synonym:37493_Minitran_TRADE_NAME,
synonym:37493_Nitro iv_TRADE_NAME,
synonym:37493_Nitro-bid_TRADE_NAME,
synonym:37493_Nitro-dur_TRADE_NAME,
synonym:37493_Nitroglycerin_FDA_ALTERNATIVE_NAME,
synonym:37493_Nitroglycerin_JAN,
synonym:37493_Nitroglycerin_TRADE_NAME,
synonym:37493_Nitroglycerin_USAN,
synonym:37493_Nitroglycerin_USP,
synonym:37493_Nitrol_TRADE_NAME,
synonym:37493_Nitrolingual pumpspray_TRADE_NAME,
synonym:37493_Nitrolingual_TRADE_NAME,
synonym:37493_Nitromist_TRADE_NAME,
synonym:37493_Nitronal_TRADE_NAME,
synonym:37493_Nitrostat_TRADE_NAME,
synonym:37493_Transderm-Nitro_OTHER,
synonym:37493_Tridil_TRADE_NAME,
synonym:37493_Trinitrin Tablets_OTHER
|
|
chemicalCompound:standardIn... |
InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
|
|
chemicalCompound:standardIn... |
SNIOPGDIGTZGOP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C3H5N3O9
|
|
chemicalCompound:moleculeId |
37493
|
|
chemicalCompound:mwFreebase |
227.087
|
|
chemicalCompound:alogp |
5.822
|
|
chemicalCompound:hba |
9
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
165.14
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.154
|
|
chemicalCompound:acdLogD |
2.154
|
|
chemicalCompound:fullMwt |
227.087
|
|
chemicalCompound:chemblId |
CHEMBL730
|
|
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 |
NITROGLYCERIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:165017,
activity:165018,
activity:165019,
activity:165020,
activity:165021,
activity:165022,
activity:165023,
activity:165024,
activity:165025,
activity:165026,
activity:165027,
activity:165028,
activity:165029,
activity:165030,
activity:186280,
activity:186281,
activity:256087,
activity:256088,
activity:256089,
activity:256090,
activity:315369,
activity:524122,
activity:524123,
activity:593300,
activity:593301,
activity:693126,
activity:693127,
activity:783908,
activity:946730,
activity:1075323,
activity:1075324,
activity:1075325,
activity:1075326,
activity:1075327,
activity:1129450,
activity:1129451,
activity:1129452,
activity:1450620,
activity:2046111,
activity:2046112,
activity:2058612,
activity:2139112,
activity:2139125,
activity:2143162,
activity:2143163,
activity:2288652,
activity:2591823
|
