ETHYL BISCOUMACETATE

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

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	MOL RATIO 1 MOL RATIO (average)

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

Description

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	Inhibitor 8,297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Thrombosis 22	Primary		Withdrawn	Tromexan

C_max

Value	Dose	Co-administered	Analyte	Population
40.3 mg/L	300 mg single, oral	TRISILOXANE	ETHYL BISCOUMACETATE plasma	Homo sapiens
31 mg/L	300 mg single, oral		ETHYL BISCOUMACETATE plasma	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
0.66 h	300 mg single, oral		ETHYL BISCOUMACETATE serum	Homo sapiens
2.03 h	300 mg single, oral		7-HYDROXY ETHYL BISCOUMACETATE serum	Homo sapiens

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
substrate 1,737

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer

Drug as victim

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Target	Modality	Activity	Metabolite	Clinical evidence
CYP3A4 1,737	substrate 3,367	yes

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Sourcing

Sourcing

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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

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PubMed

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Title	Date	PubMed
[Effect of protein synthesis inhibitors on the vicasol-induced change in the content of the thermostable antifactor Xa in the blood serum].	1980 Jan-Feb	6768192
Antiretroviral agents as inhibitors of both human immunodeficiency virus type 1 integrase and protease.	1996 Jun 21	8691444

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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
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

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Classification Tree

Code System

Code

Vitamin K antagonists

WHO-ATC

B01AA08

Vitamin K antagonists

WHO-VATC

QB01AA08

Agent Affecting Blood or Body Fluid

NCI_THESAURUS

C263

EPA PESTICIDE

EPA PESTICIDE CODE

11901

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Code System

Code

Type

Description

INN

325

PRIMARY

DRUG CENTRAL

1091

PRIMARY

ECHA (EC/EINECS)

208-940-5

PRIMARY

MERCK INDEX

m5095

PRIMARY

Merck Index

NCI_THESAURUS

C75157

PRIMARY

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Related Record

Type

Details


					1C46VAS84W

7-HYDROXY-ETHYL-BISCOUMACETATE

METABOLITE INACTIVE -> PARENT

Comments:

Unit: percent of administered drug; No anticoagulant activity

Interaction Type:

IN-VIVO

Qualification:

URINE

Amount:

RELATIONSHIP_AMOUNT [10 to 15] (limits)

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Related Record

Type

Details


					08KL644731

ETHYL BISCOUMACETATE

ACTIVE MOIETY

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SMILES

InChI

Originator

Approval Year

Targets

Conditions

Cmax

T1/2

Overview

OverviewOther

Drug as victim

Sourcing

PubMed

Patents

Sample Use Guides

C_max

T_1/2