| Pubchem ID | 2723854 |
|---|---|
| CAS | 860-22-0 |
| IUPAC name | disodium;2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate |
| Synonyms | Indigo carmine|Acid Blue 74|indigocarmine|Indigotindisulfonate sodium|Indigocarmin|Indigotine|C.I. ACID BLUE 74|FD&C Blue No. 2|Food Blue No. 2|Amacid Brilliant Blue|C.I. Food Blue 1|C.I. Natural Blue 2|Sodium indigotindisulfonate|FD and C Blue No. 2|Indigotine Lake|Indigo Extract|Indocarmine F|Soluble Indigo |
| Categories | Color |
| SMILES | C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+] |
| InCheykey | InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2 |
| Natural | nan |
| E No. | E132 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 466.346 | 2 | 9 | 1 | 197.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low Absorption | Slightly Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |