Details
Stereochemistry | ACHIRAL |
Molecular Formula | C25H25N7O3 |
Molecular Weight | 471.5111 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC3=C1C=CC(=C3)C(=O)N(CCC(O)=O)C4=NC=CC=C4
InChI
InChIKey=YBSJFWOBGCMAKL-UHFFFAOYSA-N
InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
Molecular Formula | C25H25N7O3 |
Molecular Weight | 471.5111 |
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 16:13:22 UTC 2023
by
admin
on
Fri Dec 15 16:13:22 UTC 2023
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Record UNII |
I0VM4M70GC
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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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Code | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C263
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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LOINC |
68980-2
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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LOINC |
74220-5
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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LIVERTOX |
NBK547924
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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Code System | Code | Type | Description | ||
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100000089438
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SUB25417
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C554682
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CHEMBL48361
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C73224
Created by
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216210
Created by
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PRIMARY | |||
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I0VM4M70GC
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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PRIMARY | |||
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DABIGATRAN
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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1546356
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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PRIMARY | RxNorm | ||
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211914-51-1
Created by
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Dabigatran
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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m4064
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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PRIMARY | Merck Index | ||
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DTXSID50175419
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I0VM4M70GC
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admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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DB14726
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admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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8027
Created by
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UU-125
Created by
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8062
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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PRIMARY | |||
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70752
Created by
admin on Fri Dec 15 16:13:22 UTC 2023 , Edited by admin on Fri Dec 15 16:13:22 UTC 2023
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Related Record | Type | Details | ||
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BINDER->LIGAND |
BINDING
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TARGET -> INHIBITOR |
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INHIBITOR -> TARGET |
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METABOLIC ENZYME -> SUBSTRATE |
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METABOLIC ENZYME -> SUBSTRATE | |||
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TARGET -> INHIBITOR |
REVERSIBLE
IC50
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Related Record | Type | Details | ||
---|---|---|---|---|
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METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
URINE
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||
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METABOLITE -> PARENT |
after i.v. infusion of 5 mg of 14C dabigatran in healthy volunteers
TRACE AMOUNT
PLASMA
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||
|
METABOLITE -> PARENT |
after i.v. infusion of 5 mg of 14C dabigatran in healthy volunteers
PLASMA
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||
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METABOLITE -> PARENT |
after i.v. infusion of 5 mg of 14C dabigatran in healthy volunteers
URINE
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||
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METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
TRACE AMOUNT
PLASMA
|
||
|
METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
URINE
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||
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METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
FECAL
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||
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METABOLITE -> PARENT |
after i.v. infusion of 5 mg of 14C dabigatran in healthy volunteers
URINE
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||
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METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
TRACE AMOUNT
URINE
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||
|
METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
FECAL
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||
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METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
TRACE AMOUNT
PLASMA; URINE
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METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
FECAL
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METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
URINE
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METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
TRACE AMOUNT
PLASMA
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PRODRUG -> METABOLITE ACTIVE |
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METABOLITE -> PARENT |
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
FECAL
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METABOLITE -> PARENT |
after i.v. infusion of 5 mg of 14C dabigatran in healthy volunteers
URINE
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METABOLITE -> PARENT |
after i.v. infusion of 5 mg of 14C dabigatran in healthy volunteers
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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Tmax | PHARMACOKINETIC |
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INTRAVENOUS ADMINISTRATION |
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Volume of Distribution | PHARMACOKINETIC |
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Biological Half-life | PHARMACOKINETIC |
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