1.02010-04-08 22:09:40 UTC2015-07-20 22:40:47 UTCFDB011479(±)-alpha-NarcotineFormed in opium, prob. as an artifact(.+-.)-α-narcotine(.+-.)-alpha-narcotine(.+-.)-narcotine(+/-) a-narcotine(±) a-Narcotineα-gnoscopinea-Gnoscopinealpha-GnoscopineDL-narcotineGnoscopineNarcotine, (.+-.)-C22H23NO7413.4205413.1474520956,7-dimethoxy-3-{4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-1,3-dihydro-2-benzofuran-1-onenoscapine6035-40-1COC1=C(OC)C2=C(C=C1)C(OC2=O)C1N(C)CCC2=CC3=C(OCO3)C(OC)=C12InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3AKNNEGZIBPJZJG-UHFFFAOYSA-N belongs to the class of organic compounds known as phthalide isoquinolines. These are organic compounds with a structure characterized by an isoquinoline moiety linked to phthalide.Phthalide isoquinolinesOrganic compoundsAlkaloids and derivativesPhthalide isoquinolinesAromatic heteropolycyclic compoundsAcetalsAlkyl aryl ethersAmino acids and derivativesAnisolesAralkylaminesAzacyclic compoundsBenzodioxolesBenzofuranonesCarboxylic acid estersHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOrganopnictogen compoundsOxacyclic compoundsPhthalidesTetrahydroisoquinolinesTrialkylaminesAcetalAlkyl aryl etherAmineAmino acid or derivativesAnisoleAralkylamineAromatic heteropolycyclic compoundAzacycleBenzenoidBenzodioxoleBenzofuranoneCarboxylic acid derivativeCarboxylic acid esterEtherHydrocarbon derivativeIsobenzofuranoneIsocoumaranLactoneMonocarboxylic acid or derivativesOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOxacyclePhthalidePhthalide isoquinolineTertiary aliphatic amineTertiary amineTetrahydroisoquinolinelogp2.00logs-3.36solubility1.81e-01 g/lmelting_pointMp 230-233° (227-230°)logp2.58pka_strongest_acidic14.59pka_strongest_basic6.44iupac6,7-dimethoxy-3-{4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-1,3-dihydro-2-benzofuran-1-oneaverage_mass413.4205mono_mass413.147452095smilesCOC1=C(OC)C2=C(C=C1)C(OC2=O)C1N(C)CCC2=CC3=C(OCO3)C(OC)=C12formulaC22H23NO7inchiInChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3inchikeyAKNNEGZIBPJZJG-UHFFFAOYSA-Npolar_surface_area75.69refractivity107.08polarizability42.34rotatable_bond_count4acceptor_count7donor_count0physiological_charge0formal_charge0Specdb::CMs26248Specdb::CMs171515Specdb::MsMs58020Specdb::MsMs58021Specdb::MsMs58022Specdb::MsMs113856Specdb::MsMs113857Specdb::MsMs113858Specdb::MsMs443519Specdb::MsMs443520Specdb::MsMs443521Specdb::MsMs443522Specdb::MsMs443523Specdb::MsMs443524Specdb::MsMs449292Specdb::MsMs449293Specdb::MsMs449294Specdb::MsMs449295Specdb::MsMs449296Specdb::MsMs451232Specdb::MsMs452224Specdb::MsMs2236650Specdb::MsMs2236735Specdb::MsMs2242314Specdb::MsMs2242857Specdb::MsMs2243006Specdb::MsMs2243568HMDB33441#<Reference:0x00005556745260c8>