U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C31H23BrO3
Molecular Weight 523.417
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRODIFACOUM

SMILES

OC1=C(C2CC(CC3=C2C=CC=C3)C4=CC=C(C=C4)C5=CC=C(Br)C=C5)C(=O)OC6=C1C=CC=C6

InChI

InChIKey=VEUZZDOCACZPRY-UHFFFAOYSA-N
InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2

HIDE SMILES / InChI

Molecular Formula C31H23BrO3
Molecular Weight 523.417
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:40 UTC 2023
Edited
by admin
on Fri Dec 15 18:32:40 UTC 2023
Record UNII
A25P3CP5S7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRODIFACOUM
HSDB   ISO   MART.   MI  
Common Name English
2H-1-BENZOPYRAN-2-ONE, 3-(3-(4'-BROMO(1,1'-BIPHENYL)-4-YL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-4-HYDROXY-
Systematic Name English
3-(3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL)-4-HYDROXYCOUMARIN
Systematic Name English
PP-581
Code English
BRODIMAT
Brand Name English
BRODIFACOUM [ISO]
Common Name English
KLERAT
Brand Name English
VOLID
Brand Name English
BRODIFACOUM [HSDB]
Common Name English
BRODIFACOUM [MI]
Common Name English
BROMFENACOUM
Common Name English
BRODIFACOUM [NFLIS-DRUG]
Common Name English
WBA-8119
Code English
TALON
Brand Name English
BRODIFACOUM [MART.]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 112701
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
Code System Code Type Description
CAS
56073-10-0
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
EVMPD
SUB33218
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
ALANWOOD
brodifacoum
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
HSDB
3916
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
FDA UNII
A25P3CP5S7
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
MESH
C013418
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID5032529
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
MERCK INDEX
m2656
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY Merck Index
SMS_ID
100000126293
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
WIKIPEDIA
BRODIFACOUM
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
PUBCHEM
54680676
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
ECHA (EC/EINECS)
259-980-5
Created by admin on Fri Dec 15 18:32:41 UTC 2023 , Edited by admin on Fri Dec 15 18:32:41 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ROUTE OF ADMINSTRATION
PHARMACOKINETIC