1.0 2011-09-21 00:08:46 UTC 2015-07-21 06:56:59 UTC FDB022119 3-Methoxy-4-hydroxyphenylethyleneglycol sulfate 3-methoxy-4-hydroxyphenylethyleneglycol sulfate (MHPG-SO4) is the major metabolite of noradrenaline in serum. Chronic schizophrenics have lower serum levels than healthy individuals. Treatment of both groups with 7 daily 3-mg doses of Haloperidol caused similar decreases in MHPG-SO4 concentration. (PMID 7343757) In human urine, constitutes 44% of the total 3-methoxy-4-hydroxyphenylethylene glycol. (PMID 7379456) [HMDB] (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulphate (3-Methoxy-4-hydroxyphenyl)glycol O-sulfate (3-Methoxy-4-hydroxyphenyl)glycol O-sulphate (3-Methoxy-4-hydroxyphenyl)glycol sulfate ester (3-Methoxy-4-hydroxyphenyl)glycol sulphate ester 3-Methoxy-4-hydroxyphenylethyleneglycol sulfate 3-Methoxy-4-hydroxyphenylethyleneglycol sulfic acid 3-Methoxy-4-hydroxyphenylethyleneglycol sulphate 3-Methoxy-4-hydroxyphenylglycol 4-sulfate 3-Methoxy-4-hydroxyphenylglycol 4-sulphate MOPEG sulfate MOPEG sulphate C9H12O7S 264.252 264.030373428 [4-(1,2-dihydroxyethyl)-2-methoxyphenyl]oxidanesulfonic acid mopeg sulfate 3415-67-6 COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)CO InChI=1S/C9H12O7S/c1-15-9-4-6(7(11)5-10)2-3-8(9)16-17(12,13)14/h2-4,7,10-11H,5H2,1H3,(H,12,13,14) WUFPNASKMLJSND-UHFFFAOYSA-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-diols Alkyl aryl ethers Anisoles Aromatic alcohols Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Primary alcohols Secondary alcohols Sulfuric acid monoesters 1,2-diol Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Phenylsulfate Primary alcohol Secondary alcohol Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Solid logp -1.51 ALOGPS logs -1.81 ALOGPS solubility 4.11e+00 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic -2.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac [4-(1,2-dihydroxyethyl)-2-methoxyphenyl]oxidanesulfonic acid ChemAxon average_mass 264.252 ChemAxon mono_mass 264.030373428 ChemAxon smiles COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)CO ChemAxon formula C9H12O7S ChemAxon inchi InChI=1S/C9H12O7S/c1-15-9-4-6(7(11)5-10)2-3-8(9)16-17(12,13)14/h2-4,7,10-11H,5H2,1H3,(H,12,13,14) ChemAxon inchikey WUFPNASKMLJSND-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 57.27 ChemAxon polarizability 24.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12984 Specdb::CMs 37623 Specdb::CMs 137734 Specdb::CMs 145468 Specdb::CMs 1065890 Specdb::CMs 1065892 Specdb::CMs 1065893 Specdb::CMs 1065895 Specdb::CMs 1065897 Specdb::CMs 1065899 Specdb::CMs 1065901 Specdb::CMs 1065903 Specdb::CMs 1065905 Specdb::CMs 1065907 Specdb::CMs 1065909 Specdb::NmrOneD 144330 Specdb::NmrOneD 144331 Specdb::NmrOneD 144332 Specdb::NmrOneD 144333 Specdb::NmrOneD 144334 Specdb::NmrOneD 144335 Specdb::NmrOneD 144336 Specdb::NmrOneD 144337 Specdb::NmrOneD 144338 Specdb::NmrOneD 144339 Specdb::NmrOneD 144340 Specdb::NmrOneD 144341 Specdb::NmrOneD 144342 Specdb::NmrOneD 144343 Specdb::NmrOneD 144344 Specdb::NmrOneD 144345 Specdb::NmrOneD 144346 Specdb::NmrOneD 144347 Specdb::NmrOneD 144348 Specdb::NmrOneD 144349 Specdb::MsMs 294532 Specdb::MsMs 294533 Specdb::MsMs 294534 Specdb::MsMs 335278 Specdb::MsMs 335279 Specdb::MsMs 335280 Specdb::MsMs 2697291 Specdb::MsMs 2697292 Specdb::MsMs 2697293 Specdb::MsMs 2981723 Specdb::MsMs 2981724 Specdb::MsMs 2981725 HMDB00559 #<Reference:0x000055ce32d1efd8> #<Reference:0x000055ce32d1ecb8> 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