1.0 2011-09-21 00:36:56 UTC 2015-07-21 06:57:56 UTC FDB023927 4-Hydroxydebrisoquine Debrisoquine is metabolized to 4-hydroxydebrisoquine by CYP2D6. Due to this, it has been used widely to determine the hydroxylation capacity of the enzyme.(PMID:15843230) [HMDB] 3,4-dihydro-4-Hydroxy-2(1H)-isoquinolinecarboximidamide 4 hydroxy debrisoquine C10H13N3O 191.2297 191.105862053 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboximidamide 4-hydroxydebrisoquine 59333-79-8 NC(=N)N1CC(O)C2=C(C1)C=CC=C2 InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12) AKFURXZANOMQBD-UHFFFAOYSA-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 Azacyclic compounds Benzenoids Carboximidamides Guanidines Hydrocarbon derivatives Imines Organopnictogen compounds Secondary alcohols Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Carboximidamide Guanidine Hydrocarbon derivative Imine Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol Tetrahydroisoquinoline carboxamidine isoquinolines secondary alcohol Solid logp -0.27 ALOGPS logs -2.26 ALOGPS solubility 1.06e+00 g/l ALOGPS logp 0.06 ChemAxon pka_strongest_acidic 14.04 ChemAxon pka_strongest_basic 12.09 ChemAxon iupac 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboximidamide ChemAxon average_mass 191.2297 ChemAxon mono_mass 191.105862053 ChemAxon smiles NC(=N)N1CC(O)C2=C(C1)C=CC=C2 ChemAxon formula C10H13N3O ChemAxon inchi InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12) ChemAxon inchikey AKFURXZANOMQBD-UHFFFAOYSA-N ChemAxon polar_surface_area 73.34 ChemAxon refractivity 65.06 ChemAxon polarizability 20.08 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23358 Specdb::CMs 39020 Specdb::CMs 163804 Specdb::MsIr 2404 Specdb::MsIr 2405 Specdb::MsIr 2406 Specdb::NmrOneD 74492 Specdb::NmrOneD 74493 Specdb::NmrOneD 74494 Specdb::NmrOneD 74495 Specdb::NmrOneD 74496 Specdb::NmrOneD 74497 Specdb::NmrOneD 74498 Specdb::NmrOneD 74499 Specdb::NmrOneD 74500 Specdb::NmrOneD 74501 Specdb::NmrOneD 74502 Specdb::NmrOneD 74503 Specdb::NmrOneD 74504 Specdb::NmrOneD 74505 Specdb::NmrOneD 74506 Specdb::NmrOneD 74507 Specdb::NmrOneD 74508 Specdb::NmrOneD 74509 Specdb::NmrOneD 74510 Specdb::NmrOneD 74511 Specdb::MsMs 317788 Specdb::MsMs 317789 Specdb::MsMs 317790 Specdb::MsMs 364369 Specdb::MsMs 364370 Specdb::MsMs 364371 Specdb::MsMs 2818416 Specdb::MsMs 2818417 Specdb::MsMs 2818418 Specdb::MsMs 2887843 Specdb::MsMs 2887844 Specdb::MsMs 2887845 HMDB06468 #<Reference:0x000055ce33297438> 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