1.0 2011-09-21 00:26:51 UTC 2015-07-21 06:57:36 UTC FDB023244 (S)-N-Methylsalsolinol 1,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline is an endogenous amine in parkinsonian and normal human brain. (PMID 2049084) Endogenous isoquinolines with and without catechol structure have been proposed to be neurotoxins specific for dopamine neurons. (PMID 9085193) [HMDB] (S)-N-Methylsalsolinol 1,2-Ddtiq 1,2-Dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline N-Methyl-(S)-salsolinol N-Methylsalsolinol C11H15NO2 193.2423 193.110278729 (1S)-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol N-methylsalsolinol 53622-85-8 C[C@@H]1N(C)CCC2=CC(O)=C(O)C=C12 InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m0/s1 RKMGOUZXGHZLBJ-ZETCQYMHSA-N belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. Tetrahydroisoquinolines Organic compounds Organoheterocyclic compounds Tetrahydroisoquinolines Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Trialkylamines 1-hydroxy-2-unsubstituted benzenoid Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline Solid logp 1.23 ALOGPS logs -0.94 ALOGPS solubility 2.19e+01 g/l ALOGPS logp 1.59 ChemAxon pka_strongest_acidic 6.92 ChemAxon pka_strongest_basic 10.24 ChemAxon iupac (1S)-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol ChemAxon average_mass 193.2423 ChemAxon mono_mass 193.110278729 ChemAxon smiles C[C@@H]1N(C)CCC2=CC(O)=C(O)C=C12 ChemAxon formula C11H15NO2 ChemAxon inchi InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/t7-/m0/s1 ChemAxon inchikey RKMGOUZXGHZLBJ-ZETCQYMHSA-N ChemAxon polar_surface_area 43.7 ChemAxon refractivity 56.29 ChemAxon polarizability 21.36 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10086 Specdb::CMs 38669 Specdb::CMs 137977 Specdb::CMs 145711 Specdb::NmrOneD 10682 Specdb::NmrOneD 10683 Specdb::NmrOneD 10684 Specdb::NmrOneD 10685 Specdb::NmrOneD 10686 Specdb::NmrOneD 10687 Specdb::NmrOneD 10688 Specdb::NmrOneD 10689 Specdb::NmrOneD 10690 Specdb::NmrOneD 10691 Specdb::NmrOneD 10692 Specdb::NmrOneD 10693 Specdb::NmrOneD 10694 Specdb::NmrOneD 10695 Specdb::NmrOneD 10696 Specdb::NmrOneD 10697 Specdb::NmrOneD 10698 Specdb::NmrOneD 10699 Specdb::NmrOneD 10700 Specdb::NmrOneD 10701 Specdb::MsMs 288280 Specdb::MsMs 288281 Specdb::MsMs 288282 Specdb::MsMs 327346 Specdb::MsMs 327347 Specdb::MsMs 327348 Specdb::MsMs 2431540 Specdb::MsMs 2431541 Specdb::MsMs 2431542 Specdb::MsMs 2508139 Specdb::MsMs 2508140 Specdb::MsMs 2508141 HMDB03892 #<Reference:0x000055ce31ec4f50> #<Reference:0x000055ce31ec4d98> #<Reference:0x000055ce31ec4be0> 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