COUMARIN 6

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H18N2O2S
Molecular Weight	350.434
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of COUMARIN 6

Structure Search

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C3=NC4=C(S3)C=CC=C4)C(=O)O2

InChI

InChIKey=VBVAVBCYMYWNOU-UHFFFAOYSA-N

InChI=1S/C20H18N2O2S/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h5-12H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C20H18N2O2S
Molecular Weight	350.434
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:36:53 GMT 2025` Edited by `admin` on `Tue Apr 01 17:36:53 GMT 2025`
Record UNII	48DU8Q9UAU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-290432

Preferred Name

English

COUMARIN 6

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)-

Systematic Name

English

NK-1858

Code

English

COUMARIN 540

Common Name

English

3-BENZOTHIAZOL-2-YL-7-DIETHYLAMINO-CHROMEN-2-ONE

Systematic Name

English

3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)COUMARIN

Systematic Name

English

3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

COUMARIN, 3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

100334

Created by admin on Tue Apr 01 17:36:54 GMT 2025 , Edited by admin on Tue Apr 01 17:36:54 GMT 2025

PRIMARY

FDA UNII

48DU8Q9UAU

Created by admin on Tue Apr 01 17:36:54 GMT 2025 , Edited by admin on Tue Apr 01 17:36:54 GMT 2025

PRIMARY

CAS

38215-36-0

Created by admin on Tue Apr 01 17:36:54 GMT 2025 , Edited by admin on Tue Apr 01 17:36:54 GMT 2025

PRIMARY

EPA CompTox

DTXSID5068079

Created by admin on Tue Apr 01 17:36:54 GMT 2025 , Edited by admin on Tue Apr 01 17:36:54 GMT 2025

PRIMARY

ECHA (EC/EINECS)

253-830-2

Created by admin on Tue Apr 01 17:36:54 GMT 2025 , Edited by admin on Tue Apr 01 17:36:54 GMT 2025

PRIMARY

NSC

290432

Created by admin on Tue Apr 01 17:36:54 GMT 2025 , Edited by admin on Tue Apr 01 17:36:54 GMT 2025

PRIMARY

CHEBI

51942

Created by admin on Tue Apr 01 17:36:54 GMT 2025 , Edited by admin on Tue Apr 01 17:36:54 GMT 2025

PRIMARY

Related Record Type Details


					X9H949X2X5

COUMARIN 6 HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount: