1.0 2016-09-30 23:22:16 UTC 2020-04-22 15:17:31 UTC BMDB0006468 BMDB06468 4-Hydroxydebrisoquine 3,4-Dihydro-4-hydroxy-2(1H)-isoquinolinecarboximidamide 4 Hydroxy debrisoquine 4-Hydroxydebrisoquin sulfate (2:1) 4-Hydroxydebrisoquin 4-Hydroxydebrisoquine 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. Organic compounds Organoheterocyclic compounds Tetrahydroisoquinolines Tetrahydroisoquinolines 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 Aromatic heteropolycyclic compounds carboxamidine isoquinolines secondary alcohol Solid logp -0.27 ALOGPS logs -2.26 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 number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 23358 Specdb::CMs 39020 Specdb::CMs 163804 Specdb::MsIr 2404 Specdb::MsIr 2405 Specdb::MsIr 2406 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 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 FDB023927 96842 63800 107669 2299987 Ram, Siya; Saxena, Anil K.; Jain, Padam C. 2-Substituted 4-hydroxy-1,2,3,4-tetrahydroisoquinolines. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1978), 16B(11), 1019-22.