1.0 2016-05-22 04:43:54 UTC 2026-05-14 19:10:37 UTC Indigocarmine SmallMolecule Indigocarmine is an organic compound with the formula C16H10N2O8S2 and an average molecular weight of 422.39 g/mol. Indigocarmine belongs to the indolines, a subclass of indoles and derivatives within the organic compounds. It is categorized as an organoheterocyclic compound. Regarding its pharmacological profile, there are six recorded protein targets for this substance. It acts as an agonist of the Alpha-1D adrenergic receptor (ADRA1D) as well as the Alpha-2A, Alpha-2B, and Alpha-2C adrenergic receptors (ADRA2A, ADRA2B, and ADRA2C). Additionally, two other proteins are recorded as targets. Indigocarmine is found in or released from one recorded source: unclassified diagnostic agents within healthcare, pharmaceuticals, and veterinary products. The recorded exposure routes for this compound are intravenous and intramuscular. C16H10N2O8S2 422.389 421.987856686 (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonic acid (E)-3,3'-dioxo-1H,1'H-[2,2'-biindolylidene]-5,5'-disulfonic acid 483-20-5 OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1 InChI=1S/C16H10N2O8S2/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/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+ CFZXDJWFRVEWSR-BUHFOSPRSA-N Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolines Indolines 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Azacyclic compounds Benzenoids Enamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Secondary alkylarylamines Sulfonyls Vinylogous amides 1-sulfo,2-unsubstituted aromatic compound Amine Aromatic heteropolycyclic compound Aryl ketone Arylsulfonic acid or derivatives Azacycle Benzenoid Dihydroindole Enamine Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Secondary aliphatic/aromatic amine Secondary amine Sulfonyl Vinylogous amide Aromatic heteropolycyclic compounds Detected and Not Quantified logp 1.01 logp -0.94 ALOGPS logs -3.63 ALOGPS solubility 9.96e-02 g/l ALOGPS logp 1.01 ChemAxon pka_strongest_acidic -2.8 ChemAxon pka_strongest_basic -7.7 ChemAxon iupac (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonic acid ChemAxon average_mass 422.389 ChemAxon mono_mass 421.987856686 ChemAxon smiles OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1 ChemAxon formula C16H10N2O8S2 ChemAxon inchi InChI=1S/C16H10N2O8S2/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/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+ ChemAxon inchikey CFZXDJWFRVEWSR-BUHFOSPRSA-N ChemAxon polar_surface_area 166.94 ChemAxon refractivity 101.29 ChemAxon polarizability 39.65 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72241f0a20> DB11577 5282430 4510180 BE0000289 BE0000572 BE0000342 BE0000715 BE0000501 BE0000575