1.0 2011-09-21 00:18:27 UTC 2015-07-21 06:57:20 UTC FDB022721 Epinephrine sulfate Epinephrine sulfate is found in human plasma at different levels. Glucuronidation may be an improtant pathway for catecholammine in man at rest or under sympathetic stimulation.(PMID: 6688268) [HMDB] (R)-4-[1-hydroxy-2-(methylamino)ethyl]-2-Benzenediol mono(hydrogen sulfate) (ester) (R)-4-[1-Hydroxy-2-(methylamino)ethyl]-2-benzenediol mono(hydrogen sulphate) (ester) Adrenaline sulfate Adrenaline sulphate Epinephrine sulfoconjugate C9H13NO6S 263.268 263.046357843 {2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl}oxidanesulfonic acid epinephrine sulfoconjugate 77469-50-2 CNC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1 InChI=1S/C9H13NO6S/c1-10-5-8(12)6-2-3-9(7(11)4-6)16-17(13,14)15/h2-4,8,10-12H,5H2,1H3,(H,13,14,15)/t8-/m0/s1 AELFRHHZGTVYGJ-QMMMGPOBSA-N belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Phenylsulfates Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Aromatic homomonocyclic compounds 1,2-aminoalcohols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Aromatic alcohols Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Phenoxy compounds Secondary alcohols Sulfuric acid monoesters 1,2-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Amine Aralkylamine Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenoxy compound Phenylsulfate Secondary alcohol Secondary aliphatic amine Secondary amine Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Solid logp -1.62 ALOGPS logs -2.01 ALOGPS solubility 2.55e+00 g/l ALOGPS logp -0.75 ChemAxon pka_strongest_acidic -2.3 ChemAxon pka_strongest_basic 9.25 ChemAxon iupac {2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl}oxidanesulfonic acid ChemAxon average_mass 263.268 ChemAxon mono_mass 263.046357843 ChemAxon smiles CNC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1 ChemAxon formula C9H13NO6S ChemAxon inchi InChI=1S/C9H13NO6S/c1-10-5-8(12)6-2-3-9(7(11)4-6)16-17(13,14)15/h2-4,8,10-12H,5H2,1H3,(H,13,14,15)/t8-/m0/s1 ChemAxon inchikey AELFRHHZGTVYGJ-QMMMGPOBSA-N ChemAxon polar_surface_area 116.09 ChemAxon refractivity 59.22 ChemAxon polarizability 24.3 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9370 Specdb::CMs 38163 Specdb::CMs 133078 Specdb::CMs 140812 Specdb::NmrOneD 148460 Specdb::NmrOneD 148461 Specdb::NmrOneD 148462 Specdb::NmrOneD 148463 Specdb::NmrOneD 148464 Specdb::NmrOneD 148465 Specdb::NmrOneD 148466 Specdb::NmrOneD 148467 Specdb::NmrOneD 148468 Specdb::NmrOneD 148469 Specdb::NmrOneD 148470 Specdb::NmrOneD 148471 Specdb::NmrOneD 148472 Specdb::NmrOneD 148473 Specdb::NmrOneD 148474 Specdb::NmrOneD 148475 Specdb::NmrOneD 148476 Specdb::NmrOneD 148477 Specdb::NmrOneD 148478 Specdb::NmrOneD 148479 Specdb::MsMs 72018 Specdb::MsMs 72019 Specdb::MsMs 72020 Specdb::MsMs 130809 Specdb::MsMs 130810 Specdb::MsMs 130811 Specdb::MsMs 2728243 Specdb::MsMs 2728244 Specdb::MsMs 2728245 Specdb::MsMs 2980988 Specdb::MsMs 2980989 Specdb::MsMs 2980990 HMDB01876 #<Reference:0x000055ce33344818> #<Reference:0x000055ce33344660> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823