Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H27N3O2.2ClH.H2O |
Molecular Weight | 420.374 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.Cl.O=C(N1CCN(CC1)C2CC2)C3=CC=C(CN4CCOCC4)C=C3
InChI
InChIKey=BLFBQJUVAGIUBL-UHFFFAOYSA-N
InChI=1S/C19H27N3O2.2ClH.H2O/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20;;;/h1-4,18H,5-15H2;2*1H;1H2
Molecular Formula | C19H27N3O2 |
Molecular Weight | 329.4366 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Bavisant (also known as JNJ-31001074 or BEN-2001), a highly selective, active antagonist of the human H3 receptor that was invented by Johnson & Johnson for the treatment of attention-deficit hyperactivity disorder (ADHD). However, the result of clinical trials did not display significant clinical effectiveness in the treatment of adults with ADHD. BenevolentAI has started phase II clinical trials where investigated bavisant for ameliorating the excessive daytime sleepiness in patients with Parkinson’s disease, using one of the drug side effects is dose-dependent insomnia.
Approval Year
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22519922
Participants were randomly assigned equally to one of six treatment groups: placebo, bavisant 1 mg/day, 3 mg/day or 10 mg/day, atomoxetine hydrochloride 80 mg/day or osmotic-release oral system (OROS) methylphenidate hydrochloride 54 mg/day.
Route of Administration:
Oral
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 16 20:25:47 UTC 2022
by
admin
on
Fri Dec 16 20:25:47 UTC 2022
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Record UNII |
C1H7H5X3RE
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Record Status |
Validated (UNII)
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Record Version |
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-
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NCI_THESAURUS |
C47795
Created by
admin on Fri Dec 16 20:25:47 UTC 2022 , Edited by admin on Fri Dec 16 20:25:47 UTC 2022
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1103522-80-0
Created by
admin on Fri Dec 16 20:25:47 UTC 2022 , Edited by admin on Fri Dec 16 20:25:47 UTC 2022
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C1H7H5X3RE
Created by
admin on Fri Dec 16 20:25:47 UTC 2022 , Edited by admin on Fri Dec 16 20:25:47 UTC 2022
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CHEMBL2103862
Created by
admin on Fri Dec 16 20:25:47 UTC 2022 , Edited by admin on Fri Dec 16 20:25:47 UTC 2022
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56843503
Created by
admin on Fri Dec 16 20:25:47 UTC 2022 , Edited by admin on Fri Dec 16 20:25:47 UTC 2022
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C142947
Created by
admin on Fri Dec 16 20:25:47 UTC 2022 , Edited by admin on Fri Dec 16 20:25:47 UTC 2022
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XX-117
Created by
admin on Fri Dec 16 20:25:47 UTC 2022 , Edited by admin on Fri Dec 16 20:25:47 UTC 2022
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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ACTIVE MOIETY |