7-HYDROXY-ETHYL-BISCOUMACETATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H16O9
Molecular Weight	424.357
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-HYDROXY-ETHYL-BISCOUMACETATE

Structure Search

SMILES

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

InChI

InChIKey=HOQKQBQANVGWAZ-UHFFFAOYSA-N

InChI=1S/C22H16O9/c1-2-29-20(26)15(16-18(24)11-5-3-4-6-13(11)30-21(16)27)17-19(25)12-8-7-10(23)9-14(12)31-22(17)28/h3-9,15,23-25H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C22H16O9
Molecular Weight	424.357
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:29:38 GMT 2025` Edited by `admin` on `Mon Mar 31 22:29:38 GMT 2025`
Record UNII	1C46VAS84W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-HYDROXY-ETHYL-BISCOUMACETATE

Common Name

English

7-HEBA

Preferred Name

English

ETHYL 2-(4,7-DIHYDROXY-2-OXOCHROMEN-3-YL)-2-(4-HYDROXY-2-OXOCHROMEN-3-YL)ACETATE

Systematic Name

English

2H-1-BENZOPYRAN-3-ACETIC ACID, 4,7-DIHYDROXY-.ALPHA.-(4-HYDROXY-2-OXO-2H-1-BENZOPYRAN-3-YL)-2-OXO-, ETHYL ESTER

Systematic Name

English

ETHYL BISCOUMACETATE, 7-HYDROXY-

Common Name

English

ACETIC ACID, (4,7-DIHYDROXY-2-OXO-2H-1-BENZOPYRAN-3-YL)(4-HYDROXY-2-OXO-2H-1-BENZOPYRAN-3-YL)-, ETHYL ESTER

Systematic Name

English

ETHYL (2,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL)(2-HYDROXY-4-OXO-4H-CHROMEN-3-YL)ACETATE

Systematic Name

English

7-HYDROXYETHYL BISCOUMACETATE

Common Name

English

Code System Code Type Description

FDA UNII

1C46VAS84W

Created by admin on Mon Mar 31 22:29:38 GMT 2025 , Edited by admin on Mon Mar 31 22:29:38 GMT 2025

PRIMARY

EPA CompTox

DTXSID80920691

Created by admin on Mon Mar 31 22:29:38 GMT 2025 , Edited by admin on Mon Mar 31 22:29:38 GMT 2025

PRIMARY

CAS

112222-66-9

Created by admin on Mon Mar 31 22:29:38 GMT 2025 , Edited by admin on Mon Mar 31 22:29:38 GMT 2025

PRIMARY

PUBCHEM

54692989

Created by admin on Mon Mar 31 22:29:38 GMT 2025 , Edited by admin on Mon Mar 31 22:29:38 GMT 2025

PRIMARY

Related Record Type Details


					08KL644731

ETHYL BISCOUMACETATE

PARENT -> METABOLITE INACTIVE

Comments:

Unit: percent of administered drug; No anticoagulant activity

Interaction Type:

IN-VIVO

Qualification:

URINE

Amount: