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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=CC=C2C=C(C3=NC4=CC=CC=C4S3)C(=O)OC2=C1

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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Sat Dec 16 19:10:13 GMT 2023
Edited
by admin
on Sat Dec 16 19:10:13 GMT 2023
Record UNII
X9H949X2X5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COUMARIN 6 HYDROCHLORIDE
Common Name English
2H-1-BENZOPYRAN-2-ONE, 3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)-, MONOHYDROCHLORIDE
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
163203573
Created by admin on Sat Dec 16 19:10:13 GMT 2023 , Edited by admin on Sat Dec 16 19:10:13 GMT 2023
PRIMARY
FDA UNII
X9H949X2X5
Created by admin on Sat Dec 16 19:10:13 GMT 2023 , Edited by admin on Sat Dec 16 19:10:13 GMT 2023
PRIMARY
CAS
210051-50-6
Created by admin on Sat Dec 16 19:10:13 GMT 2023 , Edited by admin on Sat Dec 16 19:10:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE