1.0 2011-09-21 01:51:44 UTC 2015-07-21 06:59:39 UTC FDB029199 Adrenochrome Adrenochrome is a compound produced by the oxidation of adrenaline (epinephrine). The derivative carbazochrome is a hemostatic medication. [Wikipedia] AdChr Adrenochrome o-quinone Adrenochrome oxidised Catecholamine o-quinone N-Methyl-5,6-dioxo-2,3,5,6-tetrahydro-3-hydroxyindole N-Methyl-5,6-dioxo-2,3,5,6-tetrahydro-3-indolol C9H9NO3 179.1727 179.058243159 3-hydroxy-1-methyl-2,3,5,6-tetrahydro-1H-indole-5,6-dione adrenochrome 54-06-8 CN1CC(O)C2=CC(=O)C(=O)C=C12 InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3 RPHLQSHHTJORHI-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Indoles and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Aliphatic heteropolycyclic compounds Azacyclic compounds Cyclic ketones Enamines Hydrocarbon derivatives N-alkylpyrrolidines Organic oxides Organopnictogen compounds Secondary alcohols Trialkylamines Vinylogous amides Alcohol Aliphatic heteropolycyclic compound Amine Azacycle Carbonyl group Cyclic ketone Enamine Hydrocarbon derivative Indole or derivatives Ketone N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Secondary alcohol Tertiary aliphatic amine Tertiary amine Vinylogous amide Solid logp 0.08 ALOGPS logs -0.42 ALOGPS solubility 6.80e+01 g/l ALOGPS logp -0.31 ChemAxon pka_strongest_acidic 14.09 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 3-hydroxy-1-methyl-2,3,5,6-tetrahydro-1H-indole-5,6-dione ChemAxon average_mass 179.1727 ChemAxon mono_mass 179.058243159 ChemAxon smiles CN1CC(O)C2=CC(=O)C(=O)C=C12 ChemAxon formula C9H9NO3 ChemAxon inchi InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3 ChemAxon inchikey RPHLQSHHTJORHI-UHFFFAOYSA-N ChemAxon polar_surface_area 57.61 ChemAxon refractivity 48.56 ChemAxon polarizability 17.25 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17017 Specdb::CMs 40015 Specdb::MsMs 303655 Specdb::MsMs 303656 Specdb::MsMs 303657 Specdb::MsMs 346651 Specdb::MsMs 346652 Specdb::MsMs 346653 HMDB12884 Glutathione S-transferase theta-2 P0CG29 GSTT2