Details
Stereochemistry | RACEMIC |
Molecular Formula | C21H27ClN2O2 |
Molecular Weight | 374.904 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCOCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3
InChI
InChIKey=ZQDWXGKKHFNSQK-UHFFFAOYSA-N
InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
Molecular Formula | C21H27ClN2O2 |
Molecular Weight | 374.904 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:13:12 UTC 2023
by
admin
on
Fri Dec 15 17:13:12 UTC 2023
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Record UNII |
30S50YM8OG
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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LIVERTOX |
NBK548128
Created by
admin on Fri Dec 15 17:13:12 UTC 2023 , Edited by admin on Fri Dec 15 17:13:12 UTC 2023
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NDF-RT |
N0000175750
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NDF-RT |
N0000000207
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WHO-VATC |
QN05BB01
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admin on Fri Dec 15 17:13:12 UTC 2023 , Edited by admin on Fri Dec 15 17:13:12 UTC 2023
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NCI_THESAURUS |
C29578
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WHO-ATC |
N05BB01
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WHO-VATC |
QN05BB51
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WHO-ATC |
N05BB51
Created by
admin on Fri Dec 15 17:13:12 UTC 2023 , Edited by admin on Fri Dec 15 17:13:12 UTC 2023
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Code System | Code | Type | Description | ||
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169188
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Hydroxyzine
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3658
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C29103
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5553
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PRIMARY | RxNorm | ||
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30S50YM8OG
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3098
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DTXSID8023137
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100000083664
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147152-21-4
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SUPERSEDED | |||
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m6159
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PRIMARY | Merck Index | ||
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599
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HYDROXYZINE
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200-693-1
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7199
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5818
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D006919
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1400
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30S50YM8OG
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DB00557
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CHEMBL896
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SUB08088MIG
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68-88-2
Created by
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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BINDER->LIGAND |
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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METABOLIC ENZYME -> SUBSTRATE |
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TARGET -> INHIBITOR |
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METABOLIC ENZYME -> INHIBITOR |
Inhibition of bufuralol 1′-hydroxylation. Could be clinically relevant concentration in liver is within these values.
COMPETITIVE INHIBITOR
Ki
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OFF-TARGET->INHIBITOR |
IC50
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Related Record | Type | Details | ||
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METABOLITE ACTIVE -> PARENT |
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METABOLITE INACTIVE -> PARENT |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Volume of Distribution | PHARMACOKINETIC |
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PLASMA CONCENTRATION | PHARMACOKINETIC |
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LIVER/PLASMA RATIO | PHARMACOKINETIC |
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LIVER CONCENTRATION | PHARMACOKINETIC |
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