Details
Stereochemistry | ACHIRAL |
Molecular Formula | C15H22O3 |
Molecular Weight | 250.3334 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1
InChI
InChIKey=HEMJJKBWTPKOJG-UHFFFAOYSA-N
InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
Molecular Formula | C15H22O3 |
Molecular Weight | 250.3334 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:19:58 UTC 2023
by
admin
on
Fri Dec 15 15:19:58 UTC 2023
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Record UNII |
Q8X02027X3
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Official Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Code | English | ||
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Brand Name | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
834821
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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FDA ORPHAN DRUG |
591917
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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EU-Orphan Drug |
EU/3/18/1993
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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NCI_THESAURUS |
C98150
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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WHO-VATC |
QC10AB04
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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FDA ORPHAN DRUG |
591917
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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FDA ORPHAN DRUG |
546216
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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NDF-RT |
N0000170118
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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NDF-RT |
N0000175375
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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NDF-RT |
N0000175596
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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WHO-ATC |
C10AB04
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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NDF-RT |
N0000170118
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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LIVERTOX |
NBK547926
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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FDA ORPHAN DRUG |
834921
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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Code System | Code | Type | Description | ||
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25812-30-0
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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7735
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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DB01241
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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Q8X02027X3
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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247-280-2
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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3899
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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100000092643
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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DTXSID0020652
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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SUB07894MIG
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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Q8X02027X3
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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1285
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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757024
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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3439
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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4719
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | RxNorm | ||
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D015248
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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1288500
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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Gemfibrozil
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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C29071
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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m5692
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | Merck Index | ||
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CHEMBL457
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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GEMFIBROZIL
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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5296
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY | |||
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3463
Created by
admin on Fri Dec 15 15:19:58 UTC 2023 , Edited by admin on Fri Dec 15 15:19:58 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
METABOLIC ENZYME -> INHIBITOR |
MAJOR
IC50
|
||
|
EXCRETED UNCHANGED |
URINE
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||
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TARGET -> ACTIVATOR |
with 100% efficacy
EC50
|
||
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TRANSPORTER -> INHIBITOR |
SUBSTRATE USED: ESTRONE-3-SULFATE
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR | |||
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METABOLIC ENZYME -> NON-INHIBITOR | |||
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TRANSPORTER -> INHIBITOR | |||
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TARGET -> ACTIVATOR |
with 79% efficacy
EC50
|
Related Record | Type | Details | ||
---|---|---|---|---|
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METABOLITE -> PARENT |
IN VITRO
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||
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METABOLITE -> PARENT | |||
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METABOLITE -> PARENT |
IN VITRO
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METABOLITE -> PARENT |
IN VITRO
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Related Record | Type | Details | ||
---|---|---|---|---|
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
IMPURITY -> PARENT |
|
||
|
IMPURITY -> PARENT |
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
---|---|---|---|---|---|---|
Tmax | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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