Cas no 5936-28-7 (1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)-)

1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)- structure
5936-28-7 structure
Product Name:1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)-
CAS No:5936-28-7
MF:C21H22ClNO6
MW:419.855485439301
CID:381590
PubChem ID:197834
Update Time:2025-04-19

1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)- Chemical and Physical Properties

Names and Identifiers

    • 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)-
    • (+)-B-HYDRASTINE HCL
    • 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]iso...
    • 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (
    • HYDRASTINE HYDROCHLORIDE CRYSTALLINE
    • (1R,9S)-B-hydrastine hydrochloride
    • (S)-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,hydrochloride
    • HYDRASTINE HCL,(+)-B
    • HYDRASTINE HCl,(+)-B-(P)
    • HYDRASTINE HYDROCHLORIDE
    • HydrastineHCl
    • ISOCORYNE HYDROCHLORIDE
    • (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone hydrochloride
    • (1R,9S)-beta-Hydrastine hydrochloride
    • SMR001233238
    • 562PDC2I9K
    • (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;hydrochloride
    • UNII-562PDC2I9K
    • 5936-28-7
    • Hydrastinhydrochlorid
    • beta-Hydrastine hydrochloride
    • HYDRASTINE HYDROCHLORIDE [MART.]
    • Hydrastine hydrochloride [USP]
    • HMS1569F04
    • Hydrastine hydrochloride, European Pharmacopoeia (EP) Reference Standard
    • CHEMBL1256988
    • Hydrastine HCl
    • HYDRASTINE HYDROCHLORIDE [MI]
    • Prestwick_262
    • SCHEMBL1374184
    • HYDRASTINE HYDROCHLORIDE [WHO-DD]
    • DTXSID40974771
    • NS00082618
    • Q27261364
    • EINECS 227-692-9
    • MLS002153888
    • Inchi： 1S/C21H21NO6.ClH/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;1H/t18-,19+;/m1./s1
    • InChI Key： URBFHJWLYXILMP-VOMIJIAVSA-N
    • SMILES： Cl.O1C(C2C(=C(C=CC=2[C@H]1[C@H]1C2C=C3C(=CC=2CCN1C)OCO3)OC)OC)=O

Computed Properties

  • Exact Mass: 419.11400
  • Monoisotopic Mass: 419.114
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 3
  • Complexity: 601
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.5A^2

Experimental Properties

  • Melting Point: 115°C
  • Boiling Point: 548.8°C at 760 mmHg
  • Flash Point: 285.7°C
  • PSA: 66.46000
  • LogP: 3.61310
  • Specific Rotation: D17 +127° (c = 4 in dil HCl)

1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)- Security Information

  • Hazardous Material transportation number：UN 1544
  • Hazard Category Code： 22
  • Safety Instruction： 36
  • RTECS：MU6125000
  • Hazardous Material Identification： Xn
  • Packing Group：III
  • Hazard Level：6.1(b)
  • Risk Phrases：R22
  • Packing Group：III
  • Safety Term：6.1(b)
  • HazardClass：6.1(b)
  • PackingGroup：III
  • Storage Condition：?20°C

1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
Y0001151
5936-28-7
￥1556.74 2023-01-13

1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)- Related Literature

Related Categories

5936-28-7 (1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1), (3S)-) Related Products

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