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Details

Stereochemistry ACHIRAL
Molecular Formula C27H23FN2O7S
Molecular Weight 538.544
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of EMD-122946 FREE ACID

SMILES

COC1=CC=C(C=C1F)C(=O)C(\CC2=CC(OC)=C(OC)C(OC)=C2)=C(/C(O)=O)C3=CC4=NSN=C4C=C3

InChI

InChIKey=QCYYECWQUMJABZ-ULJHMMPZSA-N
InChI=1S/C27H23FN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/b24-17-

HIDE SMILES / InChI

Molecular Formula C27H23FN2O7S
Molecular Weight 538.544
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:31 GMT 2023
Record UNII
G0QK6L5FGH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMD-122946 FREE ACID
Common Name English
2,1,3-BENZOTHIADIAZOLE-5-ACETIC ACID, .ALPHA.-(2-(3-FLUORO-4-METHOXYPHENYL)-2-OXO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)ETHYLIDENE)-
Systematic Name English
Code System Code Type Description
FDA UNII
G0QK6L5FGH
Created by admin on Sat Dec 16 08:28:31 GMT 2023 , Edited by admin on Sat Dec 16 08:28:31 GMT 2023
PRIMARY
PUBCHEM
10152810
Created by admin on Sat Dec 16 08:28:31 GMT 2023 , Edited by admin on Sat Dec 16 08:28:31 GMT 2023
PRIMARY
CAS
195506-98-0
Created by admin on Sat Dec 16 08:28:31 GMT 2023 , Edited by admin on Sat Dec 16 08:28:31 GMT 2023
PRIMARY
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ACTIVE MOIETY