1.0 2010-04-08 22:09:50 UTC 2018-05-28 23:31:49 UTC FDB011815 Hydrocotarnine Alkaloid from opium (Papaver somniferum). 1,2,3,4-Tetrahydro-8-methoxy-2-methyl-6,7-methylenedioxyisoquinoline 1,2,3,4-Tetrahydro-8-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinoline, 9CI Hydrocotarnin Hydrocotarnine hydrochloride Hydrocotarnine hydrochloride (JP15) C12H15NO3 221.2524 221.105193351 4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline hydrocotarnine 550-10-7 COC1=C2CN(C)CCC2=CC2=C1OCO2 InChI=1S/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3 XXANNZJIZQTCBP-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 Acetals Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Benzodioxoles Hydrocarbon derivatives Organopnictogen compounds Oxacyclic compounds Trialkylamines Acetal Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Ether Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline logp 1.22 ALOGPS logs -1.39 ALOGPS solubility 9.06e+00 g/l ALOGPS melting_point Mp 55.5-56.5° logp 1.42 ChemAxon pka_strongest_basic 7.13 ChemAxon iupac 4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline ChemAxon average_mass 221.2524 ChemAxon mono_mass 221.105193351 ChemAxon smiles COC1=C2CN(C)CCC2=CC2=C1OCO2 ChemAxon formula C12H15NO3 ChemAxon inchi InChI=1S/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3 ChemAxon inchikey XXANNZJIZQTCBP-UHFFFAOYSA-N ChemAxon polar_surface_area 30.93 ChemAxon refractivity 60.14 ChemAxon polarizability 23.48 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21445 Specdb::CMs 131806 Specdb::CMs 139540 Specdb::NmrOneD 121678 Specdb::NmrOneD 121679 Specdb::NmrOneD 121680 Specdb::NmrOneD 121681 Specdb::NmrOneD 121682 Specdb::NmrOneD 121683 Specdb::NmrOneD 121684 Specdb::NmrOneD 121685 Specdb::NmrOneD 121686 Specdb::NmrOneD 121687 Specdb::NmrOneD 121688 Specdb::NmrOneD 121689 Specdb::NmrOneD 121690 Specdb::NmrOneD 121691 Specdb::NmrOneD 121692 Specdb::NmrOneD 121693 Specdb::NmrOneD 121694 Specdb::NmrOneD 121695 Specdb::NmrOneD 121696 Specdb::NmrOneD 121697 Specdb::MsMs 99660 Specdb::MsMs 99661 Specdb::MsMs 99662 Specdb::MsMs 164829 Specdb::MsMs 164830 Specdb::MsMs 164831 Specdb::MsMs 2233607 Specdb::MsMs 2235309 Specdb::MsMs 2236531 Specdb::MsMs 2236826 Specdb::MsMs 2244823 Specdb::MsMs 2245315 Specdb::MsMs 2246914 Specdb::MsMs 2247348 Specdb::MsMs 2249065 Specdb::MsMs 2249351 Specdb::MsMs 2251030 Specdb::MsMs 2251360 Specdb::MsMs 2258587 Specdb::MsMs 2366443 Specdb::MsMs 2366444 Specdb::MsMs 2366445 Specdb::MsMs 2599455 Specdb::MsMs 2599456 Specdb::MsMs 2599457 HMDB33701 #<Reference:0x000055ce322f5f70>