Details
Stereochemistry | RACEMIC |
Molecular Formula | C27H38N2O4 |
Molecular Weight | 454.6016 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1
InChI
InChIKey=SGTNSNPWRIOYBX-UHFFFAOYSA-N
InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
Molecular Formula | C27H38N2O4 |
Molecular Weight | 454.6016 |
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
Sat Dec 16 17:42:15 UTC 2023
by
admin
on
Sat Dec 16 17:42:15 UTC 2023
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Record UNII |
CJ0O37KU29
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
Name | Type | Language | ||
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Common 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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Common Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
Classification Tree | Code System | Code | ||
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NDF-RT |
N0000175566
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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WHO-VATC |
QC09BB10
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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WHO-VATC |
QC08DA01
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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WHO-ATC |
C08DA51
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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NCI_THESAURUS |
C333
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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WHO-ESSENTIAL MEDICINES LIST |
12.2
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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WHO-ESSENTIAL MEDICINES LIST |
12.1
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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WHO-VATC |
QC08DA51
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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NDF-RT |
N0000000069
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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WHO-ATC |
C09BB10
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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LIVERTOX |
NBK548362
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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WHO-ATC |
C08DA01
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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Code System | Code | Type | Description | ||
---|---|---|---|---|---|
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200-145-1
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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9948
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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2520
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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2406
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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CJ0O37KU29
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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2122
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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N0000182141
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | Cytochrome P450 3A4 Inhibitors [MoA] | ||
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11170
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | RxNorm | ||
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100000079099
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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52-53-9
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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VERAPAMIL
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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Verapamil
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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DB00661
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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D014700
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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2815
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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N0000185503
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | P-Glycoprotein Inhibitors [MoA] | ||
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C928
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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CJ0O37KU29
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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m11414
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | Merck Index | ||
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DTXSID9041152
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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SUB00038MIG
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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CHEMBL6966
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | |||
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N0000190114
Created by
admin on Sat Dec 16 17:42:17 UTC 2023 , Edited by admin on Sat Dec 16 17:42:17 UTC 2023
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PRIMARY | Cytochrome P450 3A Inhibitors [MoA] |
Related Record | Type | Details | ||
---|---|---|---|---|
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TRANSPORTER -> INHIBITOR | |||
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BINDER->LIGAND |
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METABOLIC ENZYME -> SUBSTRATE | |||
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METABOLIC ENZYME -> INHIBITOR |
IC50
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> SUBSTRATE | |||
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TRANSPORTER -> SUBSTRATE | |||
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SALT/SOLVATE -> PARENT | |||
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TRANSPORTER -> INHIBITOR | |||
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METABOLIC ENZYME -> SUBSTRATE | |||
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METABOLIC ENZYME -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR |
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TRANSPORTER -> SUBSTRATE |
Related Record | Type | Details | ||
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METABOLITE -> PARENT |
22% 0f dose
MAJOR
URINE
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METABOLITE ACTIVE -> PARENT | |||
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METABOLITE ACTIVE -> PARENT |
MAJOR
PLASMA
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METABOLITE -> PARENT |
3-4% of dose
MINOR
URINE
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METABOLITE -> PARENT |
3-4% of dose
MINOR
URINE
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METABOLITE -> PARENT |
7% of dose
URINE
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METABOLITE -> PARENT |
6% of dose
MINOR
URINE
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METABOLITE ACTIVE -> PARENT |
6% of dose
MINOR
URINE
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Volume of Distribution | PHARMACOKINETIC |
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Populations PHARMACOKINETIC |
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Duration of Action | PHARMACOKINETIC |
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Volume of Distribution | PHARMACOKINETIC |
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Populations PHARMACOKINETIC |
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Duration of Action | PHARMACOKINETIC |
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