1.0 2010-04-08 22:05:12 UTC 2025-11-18 22:34:30 UTC FDB002032 (S)-Laudanosine Alkaloid from Papaver somniferum (opium poppy). (S)-Laudanosine is found in opium poppy. Laudanosine C21H27NO4 357.4434 357.194008357 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline laudanosine 2688-77-9 COC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1 InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3 KGPAYJZAMGEDIQ-UHFFFAOYSA-N belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. Benzylisoquinolines Organic compounds Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Dimethoxybenzenes Hydrocarbon derivatives Organopnictogen compounds Phenoxy compounds Tetrahydroisoquinolines Trialkylamines Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzylisoquinoline Dimethoxybenzene Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety O-dimethoxybenzene Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline logp 2.96 ALOGPS logs -4.23 ALOGPS solubility 2.12e-02 g/l ALOGPS melting_point Mp 89° logp 3.4 ChemAxon pka_strongest_basic 8.28 ChemAxon iupac 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline ChemAxon average_mass 357.4434 ChemAxon mono_mass 357.194008357 ChemAxon smiles COC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1 ChemAxon formula C21H27NO4 ChemAxon inchi InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3 ChemAxon inchikey KGPAYJZAMGEDIQ-UHFFFAOYSA-N ChemAxon polar_surface_area 40.16 ChemAxon refractivity 102.8 ChemAxon polarizability 39.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20599 Specdb::CMs 151151 Specdb::MsMs 99669 Specdb::MsMs 99670 Specdb::MsMs 99671 Specdb::MsMs 164841 Specdb::MsMs 164842 Specdb::MsMs 164843 Specdb::MsMs 374648 Specdb::MsMs 445429 Specdb::MsMs 445430 Specdb::MsMs 445431 Specdb::MsMs 447368 Specdb::MsMs 447369 Specdb::MsMs 447370 Specdb::MsMs 447371 Specdb::MsMs 449420 Specdb::MsMs 449423 Specdb::MsMs 449426 Specdb::MsMs 451277 Specdb::MsMs 2227325 Specdb::MsMs 2227412 Specdb::MsMs 2229716 Specdb::MsMs 2229745 Specdb::MsMs 2232036 Specdb::MsMs 2232055 Specdb::MsMs 2232129 HMDB30213 #<Reference:0x000055ce31e8ae90> Opium poppy Type 1 specific Papaver somniferum 3469