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Details

Stereochemistry ACHIRAL
Molecular Formula C20H18N2O2S.ClH
Molecular Weight 386.895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COUMARIN 6 HYDROCHLORIDE

SMILES

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

InChI

InChIKey=GSRUEDWVCUJPHR-UHFFFAOYSA-N
InChI=1S/C20H18N2O2S.ClH/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;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
COUMARIN 6 HYDROCHLORIDE
Common Name English
2H-1-BENZOPYRAN-2-ONE, 3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)-, HYDROCHLORIDE (1:1)
Preferred Name English
2H-1-BENZOPYRAN-2-ONE, 3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
163203573
Created by admin on Wed Apr 02 13:51:01 GMT 2025 , Edited by admin on Wed Apr 02 13:51:01 GMT 2025
PRIMARY
FDA UNII
X9H949X2X5
Created by admin on Wed Apr 02 13:51:01 GMT 2025 , Edited by admin on Wed Apr 02 13:51:01 GMT 2025
PRIMARY
CAS
210051-50-6
Created by admin on Wed Apr 02 13:51:01 GMT 2025 , Edited by admin on Wed Apr 02 13:51:01 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of COUMARIN 6
NIH
NCATS
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