COUMARIN 527

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H20N2O2S
Molecular Weight	364.461
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of COUMARIN 527

Structure Search

SMILES

CCN(CC)C1=CC=C2C(OC(=O)C(C3=NC4=CC=CC=C4S3)=C2C)=C1

InChI

InChIKey=JSMSNRWNQKNTOW-UHFFFAOYSA-N

InChI=1S/C21H20N2O2S/c1-4-23(5-2)14-10-11-15-13(3)19(21(24)25-17(15)12-14)20-22-16-8-6-7-9-18(16)26-20/h6-12H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C21H20N2O2S
Molecular Weight	364.461
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 `Sat Dec 16 11:58:51 GMT 2023` Edited by `admin` on `Sat Dec 16 11:58:51 GMT 2023`
Record UNII	5XG8ZCX435
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COUMARIN 527

Common Name

English

3-(BENZO(D)THIAZOL-2-YL)-7-(DIETHYLAMINO)-4-METHYL-2H-CHROMEN-2-ONE

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)-4-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

5XG8ZCX435

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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ECHA (EC/EINECS)

276-346-3

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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EPA CompTox

DTXSID6072504

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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PUBCHEM

174905

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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CAS

72102-92-2

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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