Details
Stereochemistry | ACHIRAL |
Molecular Formula | C29H28N2O7 |
Molecular Weight | 516.5418 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C4=CC=CC=C4)C=C2)C=C1
InChI
InChIKey=IRLWJILLXJGJTD-UHFFFAOYSA-N
InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
Molecular Formula | C29H28N2O7 |
Molecular Weight | 516.5418 |
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 15:53:05 UTC 2023
by
admin
on
Fri Dec 15 15:53:05 UTC 2023
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Record UNII |
W1MKM70WQI
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C98233
Created by
admin on Fri Dec 15 15:53:05 UTC 2023 , Edited by admin on Fri Dec 15 15:53:05 UTC 2023
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Code System | Code | Type | Description | ||
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SUB21507
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W1MKM70WQI
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CHEMBL186179
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8442
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PP-02
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MURAGLITAZAR
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331741-94-7
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DB06510
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100000088312
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DTXSID9057719
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206044
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m1210
Created by
admin on Fri Dec 15 15:53:05 UTC 2023 , Edited by admin on Fri Dec 15 15:53:05 UTC 2023
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PRIMARY | Merck Index | ||
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C75190
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C500085
Created by
admin on Fri Dec 15 15:53:05 UTC 2023 , Edited by admin on Fri Dec 15 15:53:05 UTC 2023
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Related Record | Type | Details | ||
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EXCRETED UNCHANGED |
FECAL
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TARGET -> AGONIST |
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EXCRETED UNCHANGED |
URINE
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TARGET -> AGONIST |
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Related Record | Type | Details | ||
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
PLASMA, BILE
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
BILE
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
TRACE AMOUNT
PLASMA
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
URINE, BILE
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METABOLITE -> PARENT |
PLASMA
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
at 4h
TRACE AMOUNT
PLASMA
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METABOLITE -> PARENT |
FECAL
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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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Biological Half-life | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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Tmax | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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