U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H10NO5S.Na
Molecular Weight 375.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-(1,3-DIOXO-2,3-DIHYDRO-1H-INDEN-2-YL)QUINOLINE-8-SULFONATE

SMILES

[Na+].[O-]S(=O)(=O)C1=C2N=C(C=CC2=CC=C1)C3C(=O)C4=C(C=CC=C4)C3=O

InChI

InChIKey=FYPFGVAVAPLSHG-UHFFFAOYSA-M
InChI=1S/C18H11NO5S.Na/c20-17-11-5-1-2-6-12(11)18(21)15(17)13-9-8-10-4-3-7-14(16(10)19-13)25(22,23)24;/h1-9,15H,(H,22,23,24);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H10NO5S
Molecular Weight 352.341
Charge -1
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 16:28:25 GMT 2023
Edited
by admin
on Fri Dec 15 16:28:25 GMT 2023
Record UNII
PG3M9G2PGQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2-(1,3-DIOXO-2,3-DIHYDRO-1H-INDEN-2-YL)QUINOLINE-8-SULFONATE
Systematic Name English
SODIUM 2-(2-QUINOLYL-8-SULFONATE)-1,3-INDANDIONE
Common Name English
2-(2,3-DIHYDRO-1,3-DIOXO-1H-INDENE-2-YL)-8-QUINOLINESULFONIC ACID, SODIUM SALT
Common Name English
8-QUINOLINESULFONIC ACID, 2-(2,3-DIHYDRO-1,3-DIOXO-1H-INDEN-2-YL)-, SODIUM SALT (1:1)
Systematic Name English
SODIUM SALT OF 2-(2,3-DIHYDRO-1,3-DIOXO-1H-INDENE-2-YL)-8-QUINOLINESULFONIC ACID
Common Name English
8-QUINOLINESULFONIC ACID, 2-(2,3-DIHYDRO-1,3-DIOXO-1H-INDEN-2-YL)-, SODIUM SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C461
Created by admin on Fri Dec 15 16:28:25 GMT 2023 , Edited by admin on Fri Dec 15 16:28:25 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
284-393-6
Created by admin on Fri Dec 15 16:28:25 GMT 2023 , Edited by admin on Fri Dec 15 16:28:25 GMT 2023
PRIMARY
FDA UNII
PG3M9G2PGQ
Created by admin on Fri Dec 15 16:28:25 GMT 2023 , Edited by admin on Fri Dec 15 16:28:25 GMT 2023
PRIMARY
CAS
84864-69-7
Created by admin on Fri Dec 15 16:28:25 GMT 2023 , Edited by admin on Fri Dec 15 16:28:25 GMT 2023
PRIMARY
NCI_THESAURUS
C81101
Created by admin on Fri Dec 15 16:28:25 GMT 2023 , Edited by admin on Fri Dec 15 16:28:25 GMT 2023
PRIMARY
PUBCHEM
23662512
Created by admin on Fri Dec 15 16:28:25 GMT 2023 , Edited by admin on Fri Dec 15 16:28:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID30233925
Created by admin on Fri Dec 15 16:28:25 GMT 2023 , Edited by admin on Fri Dec 15 16:28:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE