rdf:type |
|
chemicalCompound:parent |
|
chemicalCompound:synonym |
synonym:195974_Acetylcholine Chloride_BAN,
synonym:195974_Acetylcholine Chloride_INN,
synonym:195974_Acetylcholine Chloride_JAN,
synonym:195974_Acetylcholine Chloride_USAN,
synonym:195974_Acetylcholine Chloride_USP,
synonym:195974_Acetylcholine chloride for injection_JAN,
synonym:195974_Acetylcholine chloride_FDA_ALTERNATIVE_NAME,
synonym:195974_Acetylcholine_FDA_ALTERNATIVE_NAME,
synonym:195974_Miochol-E_OTHER,
synonym:195974_Miochol-E_TRADE_NAME,
synonym:195974_Miochol_OTHER,
synonym:195974_Miochol_TRADE_NAME
|
chemicalCompound:standardIn... |
InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
|
chemicalCompound:standardIn... |
JUGOREOARAHOCO-UHFFFAOYSA-M
|
chemicalCompound:canonicalS... |
[Cl-].CC(=O)OCC[N+](C)(C)C
|
chemicalCompound:molecularF... |
C7H16ClNO2
|
chemicalCompound:moleculeId |
195974
|
chemicalCompound:mwFreebase |
146.207
|
chemicalCompound:alogp |
-1.195
|
chemicalCompound:hba |
0
|
chemicalCompound:hbd |
4
|
chemicalCompound:psa |
26.3
|
chemicalCompound:rtb |
2
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
-3.404
|
chemicalCompound:acdLogD |
-3.404
|
chemicalCompound:fullMwt |
181.66
|
chemicalCompound:chemblId |
CHEMBL1184
|
chemicalCompound:maxPhase |
4
|
chemicalCompound:therapeuti... |
1
|
chemicalCompound:dosedIngre... |
Yes
|
chemicalCompound:structureT... |
|
chemicalCompound:chebi |
|
chemicalCompound:moleculeTy... |
|
chemicalCompound:oral |
No
|
chemicalCompound:parenteral |
No
|
chemicalCompound:topical |
Yes
|
chemicalCompound:blackBoxWa... |
No
|
chemicalCompound:naturalPro... |
No
|
chemicalCompound:proDrug |
No
|
chemicalCompound:prefName |
ACETYLCHOLINE CHLORIDE
|
chemicalCompound:chebiParen... |
|
chemicalCompound:activity |
activity:1074693,
activity:4679833,
activity:5033191,
activity:5213471,
activity:5213475,
activity:5213479,
activity:5213483,
activity:5213487,
activity:5213491,
activity:5213495,
activity:5213499,
activity:5213503,
activity:5316342,
activity:5316506,
activity:5611686,
activity:5853291,
activity:5860902,
activity:5865890,
activity:6467907,
activity:6668563,
activity:6814334,
activity:9971982
|