|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
synonym:892_Carbachol_BAN,
synonym:892_Carbachol_FDA_ALTERNATIVE_NAME,
synonym:892_Carbachol_INN,
synonym:892_Carbachol_JAN,
synonym:892_Carbachol_TRADE_NAME,
synonym:892_Carbachol_USAN,
synonym:892_Carbachol_USP,
synonym:892_Carbacholine chloride_OTHER,
synonym:892_Carbamoylcholine Chloride_OTHER,
synonym:892_Carbastat_TRADE_NAME,
synonym:892_Miostat_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
|
|
chemicalCompound:standardIn... |
AIXAANGOTKPUOY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[Cl-].C[N+](C)(C)CCOC(=O)N
|
|
chemicalCompound:molecularF... |
C6H15ClN2O2
|
|
chemicalCompound:moleculeId |
892
|
|
chemicalCompound:mwFreebase |
147.195
|
|
chemicalCompound:alogp |
-1.406
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
52.32
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
12.54
|
|
chemicalCompound:acdLogP |
-4.096
|
|
chemicalCompound:acdLogD |
-4.096
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
182.648
|
|
chemicalCompound:chemblId |
CHEMBL14
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
CARBACHOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:40148,
activity:40149,
activity:40150,
activity:40151,
activity:40152,
activity:40153,
activity:40154,
activity:40155,
activity:40156,
activity:56367,
activity:56368,
activity:56369,
activity:56370,
activity:69723,
activity:69724,
activity:69725,
activity:69726,
activity:69727,
activity:69728,
activity:69729,
activity:76410,
activity:76411,
activity:76412,
activity:76413,
activity:76414,
activity:76415,
activity:76416,
activity:76417,
activity:92177,
activity:92178,
activity:92179,
activity:92180,
activity:92181,
activity:156182,
activity:156183,
activity:156184,
activity:156185,
activity:156186,
activity:156187,
activity:156188,
activity:156189,
activity:156190,
activity:156191,
activity:156192,
activity:156193,
activity:156194,
activity:156195,
activity:166471,
activity:166472,
activity:166473,
activity:166474,
activity:166475,
activity:166476
|
