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Details

Stereochemistry RACEMIC
Molecular Formula C19H16O4
Molecular Weight 308.3279
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WARFARIN

SMILES

CC(=O)CC(C1=CC=CC=C1)C2=C(O)C3=C(OC2=O)C=CC=C3

InChI

InChIKey=PJVWKTKQMONHTI-UHFFFAOYSA-N
InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3

HIDE SMILES / InChI
Molecular Formula C19H16O4
Molecular Weight 308.3279
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:11:54 UTC 2023
Edited
by admin
on Fri Dec 15 16:11:54 UTC 2023
Record UNII
5Q7ZVV76EI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WARFARIN
HSDB   INN   ISO   MI   USP-RS   VANDF   WHO-DD  
INN  
Official Name English
NSC-59813
Code English
(±)-4-HYDROXY-3-(3-OXO-1-PHENYLBUTYL)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
warfarin [INN]
Common Name English
WARFARIN [MI]
Common Name English
WARFARIN [USP-RS]
Common Name English
WARFARIN [VANDF]
Common Name English
WARFARIN [ISO]
Common Name English
WARFARIN [HSDB]
Common Name English
Warfarin [WHO-DD]
Common Name English
CHOICE
Brand Name English
4-HYDROXY-3-(3-OXO-1-PHENYLBUTYL)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
4-HYDROXY-3-((1RS)-3-OXO-1-PHENYLBUTYL)COUMARIN
Systematic Name English
Classification Tree Code System Code
NDF-RT N0000175964
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
WHO-ATC B01AA03
Created by admin on Fri Dec 15 16:11:54 UTC 2023 , Edited by admin on Fri Dec 15 16:11:54 UTC 2023
WHO-VATC QB01AA03
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
NCI_THESAURUS C263
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
LIVERTOX NBK548837
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
NCI_THESAURUS C45597
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
WHO-ESSENTIAL MEDICINES LIST 10.2
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
NDF-RT N0000175476
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
EPA PESTICIDE CODE 86002
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
Code System Code Type Description
RS_ITEM_NUM
1719000
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
NCI_THESAURUS
C945
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
IUPHAR
6853
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
INN
341
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
RXCUI
11289
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY RxNorm
WIKIPEDIA
WARFARIN
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
CAS
81-81-2
Created by admin on Fri Dec 15 16:11:54 UTC 2023 , Edited by admin on Fri Dec 15 16:11:54 UTC 2023
PRIMARY
LACTMED
Warfarin
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID5023742
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
EVMPD
SUB00090MIG
Created by admin on Fri Dec 15 16:11:54 UTC 2023 , Edited by admin on Fri Dec 15 16:11:54 UTC 2023
PRIMARY
ALANWOOD
warfarin
Created by admin on Fri Dec 15 16:11:54 UTC 2023 , Edited by admin on Fri Dec 15 16:11:54 UTC 2023
PRIMARY
NSC
59813
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
CHEBI
10033
Created by admin on Fri Dec 15 16:11:54 UTC 2023 , Edited by admin on Fri Dec 15 16:11:54 UTC 2023
PRIMARY
PUBCHEM
54678486
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
FDA UNII
5Q7ZVV76EI
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
CHEBI
87732
Created by admin on Fri Dec 15 16:11:54 UTC 2023 , Edited by admin on Fri Dec 15 16:11:54 UTC 2023
PRIMARY
DAILYMED
5Q7ZVV76EI
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-377-6
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
ChEMBL
CHEMBL1464
Created by admin on Fri Dec 15 16:11:54 UTC 2023 , Edited by admin on Fri Dec 15 16:11:54 UTC 2023
PRIMARY
SMS_ID
100000079328
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
DRUG BANK
DB00682
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
HSDB
1786
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
MERCK INDEX
m11506
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY Merck Index
DRUG CENTRAL
2847
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
MESH
D014859
Created by admin on Fri Dec 15 16:11:55 UTC 2023 , Edited by admin on Fri Dec 15 16:11:55 UTC 2023
PRIMARY
Related Record Type Details
VITAMIN K EPOXIDE REDUCTASE COMPLEX SUBUNIT 1
TARGET -> INHIBITOR
Structure of WARFARIN POTASSIUM
SALT/SOLVATE -> PARENT
Structure of WARFARIN SODIUM ISOPROPANOL COMPLEX
SALT/SOLVATE -> PARENT
Structure of WARFARIN SODIUM
SALT/SOLVATE -> PARENT
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of WARFARIN, (S)-
RACEMATE -> ENANTIOMER
Related Record Type Details
Structure of 8-HYDROXYWARFARIN
METABOLITE INACTIVE -> PARENT
metabolism of warfarin include CYP2C9, 2C19, 2C8, 2C18, 1A2, and 3A4. CYP2C9, a polymorphic enzyme, is likely to be the principal form of human liver CYP450 that modulates the in vivo anticoagulant activity of warfarin.
Structure of 4'-HYDROXYWARFARIN
METABOLITE INACTIVE -> PARENT
Structure of 6-HYDROXYWARFARIN
METABOLITE INACTIVE -> PARENT
Structure of 7-HYDROXYWARFARIN
METABOLITE INACTIVE -> PARENT
Formation rate is higher for S isomer; metabolism of warfarin include CYP2C9, 2C19, 2C8, 2C18, 1A2, and 3A4. CYP2C9, a polymorphic enzyme, is likely to be the principal form of human liver CYP450 that modulates the in vivo anticoagulant activity of warfarin.
URINE
WARFARIN ALCOHOL
METABOLITE LESS ACTIVE -> PARENT
by reductases
URINE
Related Record Type Details
Structure of WARFARIN
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
Tmax PHARMACOKINETIC
Route of Elimination PHARMACOKINETIC Renal function impairment
PHARMACOKINETIC
Onset of Action PHARMACOKINETIC
NIH
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