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Details

Stereochemistry ACHIRAL
Molecular Formula C9H4Cl2O2
Molecular Weight 215.033
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DICHLOROISOCOUMARIN

SMILES

ClC1=C(Cl)C2=C(C=CC=C2)C(=O)O1

InChI

InChIKey=SUGXUUGGLDCZKB-UHFFFAOYSA-N
InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H

HIDE SMILES / InChI

Molecular Formula C9H4Cl2O2
Molecular Weight 215.033
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
3.0 µM [IC50]
0.6 µM [IC50]
93.0 µM [IC50]
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:38:26 GMT 2023
Edited
by admin
on Fri Dec 15 19:38:26 GMT 2023
Record UNII
SD08W1HH6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DICHLOROISOCOUMARIN
Systematic Name English
3,4-DICHLORO-1H-ISOCHROMEN-1-ONE
Systematic Name English
NSC-727363
Code English
1H-2-BENZOPYRAN-1-ONE, 3,4-DICHLORO-
Systematic Name English
Code System Code Type Description
CAS
51050-59-0
Created by admin on Fri Dec 15 19:38:26 GMT 2023 , Edited by admin on Fri Dec 15 19:38:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID70199056
Created by admin on Fri Dec 15 19:38:26 GMT 2023 , Edited by admin on Fri Dec 15 19:38:26 GMT 2023
PRIMARY
DRUG BANK
DB04459
Created by admin on Fri Dec 15 19:38:26 GMT 2023 , Edited by admin on Fri Dec 15 19:38:26 GMT 2023
PRIMARY
FDA UNII
SD08W1HH6E
Created by admin on Fri Dec 15 19:38:26 GMT 2023 , Edited by admin on Fri Dec 15 19:38:26 GMT 2023
PRIMARY
NSC
727363
Created by admin on Fri Dec 15 19:38:26 GMT 2023 , Edited by admin on Fri Dec 15 19:38:26 GMT 2023
PRIMARY
PUBCHEM
1609
Created by admin on Fri Dec 15 19:38:26 GMT 2023 , Edited by admin on Fri Dec 15 19:38:26 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50