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Details

Stereochemistry RACEMIC
Molecular Formula 2C18H13Cl2O4.Ca
Molecular Weight 768.477
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDACRINONE CALCIUM

SMILES

[Ca++].CC1(CC2=CC(OCC([O-])=O)=C(Cl)C(Cl)=C2C1=O)C3=CC=CC=C3.CC4(CC5=CC(OCC([O-])=O)=C(Cl)C(Cl)=C5C4=O)C6=CC=CC=C6

InChI

InChIKey=ODXDBZSKOODCSR-UHFFFAOYSA-L
InChI=1S/2C18H14Cl2O4.Ca/c2*1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23;/h2*2-7H,8-9H2,1H3,(H,21,22);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C18H13Cl2O4
Molecular Weight 364.199
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 11:55:22 UTC 2023
Edited
by admin
on Sat Dec 16 11:55:22 UTC 2023
Record UNII
760Y5BO1L1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INDACRINONE CALCIUM
Common Name English
ACETIC ACID, ((6,7-DICHLORO-2,3-DIHYDRO-2-METHYL-1-OXO-2-PHENYL-1H-INDEN-5-YL)OXY)-, CALCIUM SALT (2:1)
Common Name English
ACETIC ACID, 2-((6,7-DICHLORO-2,3-DIHYDRO-2-METHYL-1-OXO-2-PHENYL-1H-INDEN-5-YL)OXY)-, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
122129925
Created by admin on Sat Dec 16 11:55:22 UTC 2023 , Edited by admin on Sat Dec 16 11:55:22 UTC 2023
PRIMARY
CAS
108260-88-4
Created by admin on Sat Dec 16 11:55:22 UTC 2023 , Edited by admin on Sat Dec 16 11:55:22 UTC 2023
PRIMARY
FDA UNII
760Y5BO1L1
Created by admin on Sat Dec 16 11:55:22 UTC 2023 , Edited by admin on Sat Dec 16 11:55:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE