ETHYL BISCOUMACETATE

US Previously Marketed

First approved in 1950

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H16O8
Molecular Weight	408.3576
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)C(C1=C(O)C2=C(OC1=O)C=CC=C2)C3=C(O)C4=C(OC3=O)C=CC=C4

InChI

InChIKey=JCLHQFUTFHUXNN-UHFFFAOYSA-N

InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C22H16O8
Molecular Weight	408.3576
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.drugbank.ca/drugs/DB08794 | http://www.druginfosys.com/drug.aspx?drugcode=1920&type=1https://www.ncbi.nlm.nih.gov/pubmed/14885082 | https://www.ncbi.nlm.nih.gov/pubmed/13057879

Ethyl biscoumacetate is a courmarin that is used as an anticoagulant. It has actions similar to those of Warfarin. It has been used in the management of thromboembolic disorders.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Vitamin K epoxide reductase complex subunit 1 8 Target ID: Q9BQB6 Gene ID: 79001.0 Gene Symbol: VKORC1 Target Organism: Homo sapiens (Human) Sources: http://drugcentral.org/drugcard/1091?q=Ethyl%20acetate \| http://www.genome.jp/dbget-bin/www_bget?dr:D07131 \| https://books.google.ru/books?id=NOKoBAAAQBAJ&pg=RA1-PA702&lpg=RA1-PA702&dq=ETHYL+BISCOUMACETATE retrieved from Meyler's side effects of drugs: The international encyclopedia of adverse drug reactions and interactions builds on its previous editions, edited by Jeffrey K. Aronson, p.702	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Thrombosis 22 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14885082 https://www.ncbi.nlm.nih.gov/pubmed/13057879	Primary		Withdrawn	Tromexan Approved Use Thromboses, thrombophlebitis, pulmonary embolisms, thromboembolic episodes at a myocardial infarction, heart failure.

C_max

Value	Dose	Co-administered	Analyte	Population
40.3 mg/L EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/8351679/	300 mg single, oral dose: 300 mg route of administration: Oral experiment type: SINGLE co-administered: TRISILOXANE	TRISILOXANE	ETHYL BISCOUMACETATE plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN
31 mg/L EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/8351679/	300 mg single, oral dose: 300 mg route of administration: Oral experiment type: SINGLE co-administered:		ETHYL BISCOUMACETATE plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
0.66 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/7874379/	300 mg single, oral dose: 300 mg route of administration: Oral experiment type: SINGLE co-administered:		ETHYL BISCOUMACETATE serum	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN
2.03 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/7874379/	300 mg single, oral dose: 300 mg route of administration: Oral experiment type: SINGLE co-administered:		7-HYDROXY ETHYL BISCOUMACETATE serum	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
substrate 1737

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
CYP3A4 1737	substrate 3367 Sources: https://go.drugbank.com/drugs/DB08794	yes

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY559817	https://www.001chemical.com/chem/548-00-5
Alfa Chemistry	548-00-5	https://www.alfa-chemistry.com/cas_548-00-5.htm
Alsachim	2489	http://www.alsachim.com/product-C3559-glo.bal-view.html
Ambinter	Amb19132244	http://www.ambinter.com/reference/19132244
Aronis	ARONIS24432	http://www.aronis.ru/store/index.php?main_page=product_info&cPath=1&products_id=1571
BioChemPartner	BCP26331	http://www.biochempartner.com/548-00-5-BCP26331
ChemMol	99103864	http://www.chemmol.com/chemmol/99103864.html
Chemspace	CSSB00020603099	https://chem-space.com/CSSB00020603099
Finetech	FT-0668173	http://www.finetechnology-ind.com/prod/detail/pub/548-00-5.html
LGC Standards	DRE-C13320500	https://www.lgcstandards.com/US/en/p/DRE-C13320500
LGC Standards	LGCFOR1886.00	https://www.lgcstandards.com/US/en/p/LGCFOR1886.00
LGC Standards	MM1886.00	https://www.lgcstandards.com/US/en/p/MM1886.00
Lab Network	LN01299495	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01299495
Molcore	MC559817	https://www.molcore.com/product/548-00-5
Parchem	28898	http://www.parchem.com/chemical-supplier-distributor/Ethyl-Biscoumacetate-018898.aspx
Yuhao Chemical	RT9836	http://www.chemyuhao.com/548-00-5.html
mcule	MCULE-8709308438	https://mcule.com/MCULE-8709308438

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

The initial dosage was 900 to 1,800 mg (usually 1,200 or 1,500 mg). The subsequent dosage was judged by daily prothrombin time determinations. Daily maintenance dosage ranged from 300 to 900 mg.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:03:06 GMT 2023` Edited by `admin` on `Sat Dec 16 18:03:06 GMT 2023`
Record UNII	08KL644731
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL BISCOUMACETATE

Official Name

English

NEODICUMAROL

Common Name

English

Ethyl biscoumacetate [WHO-DD]

Common Name

English

NSC-36366

Code

English

TROMBARIN

Common Name

English

ETHYL BIS(4-HYDROXY-2-OXO-2H-1-BENZOPYRAN-3-YL)ACETATE

Systematic Name

English

ethyl biscoumacetate [INN]

Common Name

English

ETHYLDICOUMAROL

Common Name

English

PELENTAN

Common Name

English

ETHYL BISCOUMACETATE [MI]

Common Name

English

NEODICUMARINUM

Common Name

English

TROMEXAN

Brand Name

English

STABILENE

Common Name

English

ETHYL BISCOUMACETATE [MART.]

Common Name

English

Classification Tree Code System Code

WHO-ATC

B01AA08