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Details

Stereochemistry ACHIRAL
Molecular Formula C18H13ClF3NO3
Molecular Weight 383.749
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-223131

SMILES

OCCC1=C(C2=C(O)C=CC(Cl)=C2)C3=C(NC1=O)C=CC(=C3)C(F)(F)F

InChI

InChIKey=QESHSZWKJULSAR-UHFFFAOYSA-N
InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)

HIDE SMILES / InChI

Molecular Formula C18H13ClF3NO3
Molecular Weight 383.749
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 Fri Dec 15 16:36:25 GMT 2023
Edited
by admin
on Fri Dec 15 16:36:25 GMT 2023
Record UNII
889F719S7K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-223131
Common Name English
2(1H)-QUINOLINONE, 4-(5-CHLORO-2-HYDROXYPHENYL)-3-(2-HYDROXYETHYL)-6-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
889F719S7K
Created by admin on Fri Dec 15 16:36:25 GMT 2023 , Edited by admin on Fri Dec 15 16:36:25 GMT 2023
PRIMARY
PUBCHEM
9951995
Created by admin on Fri Dec 15 16:36:25 GMT 2023 , Edited by admin on Fri Dec 15 16:36:25 GMT 2023
PRIMARY
ChEMBL
CHEMBL222460
Created by admin on Fri Dec 15 16:36:25 GMT 2023 , Edited by admin on Fri Dec 15 16:36:25 GMT 2023
PRIMARY
CAS
275375-69-4
Created by admin on Fri Dec 15 16:36:25 GMT 2023 , Edited by admin on Fri Dec 15 16:36:25 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY