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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H5N2O3.C7H3I2O3.Cu
Molecular Weight 641.599
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3,5-DIIODOSALICYLATO)(5-NITRO-8-QUINOLINOLATO)-, COPPER

SMILES

[Cu++].OC1=C(C=C(I)C=C1I)C([O-])=O.[O-]C2=CC=C(C3=CC=CN=C23)[N+]([O-])=O

InChI

InChIKey=NAZCAHQLEAWDFU-UHFFFAOYSA-L
InChI=1S/C9H6N2O3.C7H4I2O3.Cu/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-5,12H;1-2,10H,(H,11,12);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Cu
Molecular Weight 63.546
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H5N2O3
Molecular Weight 189.1476
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H3I2O3
Molecular Weight 388.9059
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 Sat Dec 16 12:45:20 GMT 2023
Edited
by admin
on Sat Dec 16 12:45:20 GMT 2023
Record UNII
E9FOJND1LV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3,5-DIIODOSALICYLATO)(5-NITRO-8-QUINOLINOLATO)-, COPPER
Common Name English
(2-(HYDROXY-.KAPPA.O)-3,5-DIIODOBENZOATO-.KAPPA.O)(5-NITRO-8-QUINOLINOLATO-.KAPPA.N1,.KAPPA.O8)-, COPPER
Systematic Name English
NSC-92206
Code English
Code System Code Type Description
NSC
92206
Created by admin on Sat Dec 16 12:45:20 GMT 2023 , Edited by admin on Sat Dec 16 12:45:20 GMT 2023
PRIMARY
PUBCHEM
131635145
Created by admin on Sat Dec 16 12:45:20 GMT 2023 , Edited by admin on Sat Dec 16 12:45:20 GMT 2023
PRIMARY
FDA UNII
E9FOJND1LV
Created by admin on Sat Dec 16 12:45:20 GMT 2023 , Edited by admin on Sat Dec 16 12:45:20 GMT 2023
PRIMARY
CAS
14040-02-9
Created by admin on Sat Dec 16 12:45:20 GMT 2023 , Edited by admin on Sat Dec 16 12:45:20 GMT 2023
PRIMARY