|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
synonym:468199_Alledryl_TRADE_NAME,
synonym:468199_Antitussive_TRADE_NAME,
synonym:468199_Beldin_TRADE_NAME,
synonym:468199_Belix_TRADE_NAME,
synonym:468199_Benadryl preservative free_TRADE_NAME,
synonym:468199_Benadryl_TRADE_NAME,
synonym:468199_Dibenil_TRADE_NAME,
synonym:468199_Dimedrol_OTHER,
synonym:468199_Diphen_TRADE_NAME,
synonym:468199_Diphenhydramine Hydrochloride_BAN,
synonym:468199_Diphenhydramine Hydrochloride_JAN,
synonym:468199_Diphenhydramine Hydrochloride_USAN,
synonym:468199_Diphenhydramine Hydrochloride_USP,
synonym:468199_Diphenhydramine hydrochloride preservative free_TRADE_NAME,
synonym:468199_Diphenhydramine hydrochloride_FDA_ALTERNATIVE_NAME,
synonym:468199_Diphenhydramine hydrochloride_TRADE_NAME,
synonym:468199_Dytuss_TRADE_NAME,
synonym:468199_Hydramine_TRADE_NAME,
synonym:468199_Silphen_TRADE_NAME,
synonym:468199_Syntedril_TRADE_NAME,
synonym:468199_Vicks formula 44_TRADE_NAME
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|
chemicalCompound:standardIn... |
InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
|
|
chemicalCompound:standardIn... |
PCHPORCSPXIHLZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN(C)CCOC(c1ccccc1)c2ccccc2
|
|
chemicalCompound:molecularF... |
C17H22ClNO
|
|
chemicalCompound:moleculeId |
468199
|
|
chemicalCompound:mwFreebase |
255.355
|
|
chemicalCompound:alogp |
3.384
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.47
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.997
|
|
chemicalCompound:acdLogD |
1.629
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
291.816
|
|
chemicalCompound:acdMostBpk... |
8.758
|
|
chemicalCompound:chemblId |
CHEMBL1620
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DIPHENHYDRAMINE HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2451864,
activity:3473342,
activity:3481272,
activity:3489248,
activity:3489315,
activity:3489336,
activity:3626455,
activity:3635006,
activity:3702565,
activity:3779453,
activity:3780444,
activity:3884917,
activity:3974084,
activity:4069602,
activity:4279397,
activity:4358655,
activity:4411655,
activity:4536166,
activity:4709372,
activity:4709725,
activity:4721853,
activity:5037245,
activity:5316059,
activity:5316596,
activity:5598105,
activity:5649930,
activity:5761858,
activity:6445119,
activity:6655462,
activity:6812902,
activity:6957127,
activity:6962325,
activity:7008841,
activity:7026236,
activity:7052377,
activity:7442045,
activity:7460217,
activity:7462377,
activity:7465894,
activity:7500706,
activity:7509687,
activity:7517940,
activity:7525144
|
