Cas no 73554-66-2 ((+-)-alpha-Hydrastin)

(+-)-alpha-Hydrastin structure
(+-)-alpha-Hydrastin structure
Product Name:(+-)-alpha-Hydrastin
CAS No:73554-66-2
MF:C21H21NO6
MW:383.39454627037
CID:2074494
PubChem ID:1309
Update Time:2025-04-21

(+-)-alpha-Hydrastin Chemical and Physical Properties

Names and Identifiers

    • (+-)-alpha-Hydrastin
    • (+-)-alpha-hydrastine
    • (+/-)-alpha-hydrastine
    • (+/-)-hydrastine
    • (-)-alpha-Hydrastin
    • (-)-alpha-hydrastine
    • (-)-beta-hydrastine
    • (1R,9R)-Hydrastine
    • (1R,9S)-Hydrastine
    • (R)-6,7-Dimethoxy-3-((R)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isochinolin-5-yl)-phthalid
    • (R)-6,7-dimethoxy-3-((R)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one
    • (RS)-6,7-Dimethoxy-3-((RS)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isochinolin-5-yl)-phthalid
    • (RS)-6,7-dimethoxy-3-((RS)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one
    • 6,7-Dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isochinolin-5-yl)-phthalid
    • 6,7-dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one
    • 6,7-dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-phthalide
    • alpha-hydrastine
    • beta-Hydrastin
    • beta-hydrastine
    • d-alpha-hydrastine
    • Hydrastin
    • hydrastine
    • NCGC00093981-01
    • SR-01000316445
    • NCGC00091048-02
    • FT-0669248
    • 1(3H)-isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-
    • NCGC00093981-03
    • SMR000518978
    • FT-0669249
    • MEGxp0_001472
    • MLS001210424
    • NCGC00015521-06
    • NCGC00093981-04
    • (+/-)-beta-Hydrastine
    • NCGC00017332-03
    • 6,7-Dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one
    • NCGC00015521-03
    • SR-01000316445-1
    • HMS1679F22
    • 60594-55-0
    • NCGC00091048-03
    • NCGC00091048-01
    • HMS2847F12
    • F85194
    • [S-(R*,S*)]-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-isobenzofuranone
    • HMS3373A08
    • NCGC00091048-05
    • NCGC00015521-04
    • 73554-66-2
    • Oprea1_763992
    • Oprea1_165991
    • FT-0603319
    • JZUTXVTYJDCMDU-UHFFFAOYSA-N
    • NS00002865
    • NCGC00015521-05
    • DTXSID40859216
    • (-)-beta-Hydrastine;(1R,9S)-beta-Hydrastine
    • NCGC00015521-02
    • NCGC00093981-02
    • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-
    • l-.beta.-Hydrastine
    • 6,7-dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one
    • Q978050
    • SCHEMBL1649584
    • NCGC00015521-07
    • 6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-isobenzofuranone
    • NCGC00091048-04
    • CHEMBL1256868
    • NCGC00017332-04
    • (-)-Hydrastin
    • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (S-(R*,S*))-
    • DB-041388
    • Inchi： 1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3
    • InChI Key： JZUTXVTYJDCMDU-UHFFFAOYSA-N
    • SMILES： O1C(C2C(=C(C=CC=2C1C1C2C=C3C(=CC=2CCN1C)OCO3)OC)OC)=O

Computed Properties

  • Exact Mass: 383.13688739g/mol
  • Monoisotopic Mass: 383.13688739g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 3
  • Complexity: 601
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 66.5?2

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