(3S)-6,7-Dimethoxy-3-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one hydrochloride (1:1) | CAS No. 5936-28-7

(3S)-6,7-Dimethoxy-3-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one hydrochloride (1:1)

Basic Information

CAS Number

5936-28-7

Molecular Formula

C21H22ClNO6

Molecular Weight

419.86 g/mol

AD

Basic Physical Properties

Melting Point

115°C

Boiling Point

548.8°C at 760 mmHg

Flash Point

285.7°C

Specific Rotation

D17 +127° (c = 4 in dil HCl)

CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl

InChI

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

InChIKey

URBFHJWLYXILMP-VOMIJIAVSA-N

LogP

3.295000000000002

Topological Polar Surface Area

66.46000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

601

Safety Information

View Safety Information

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

  • 562PDC2I9K
  • Prestwick_262
  • HMS1569F04
  • NS00082618
  • 5936-28-7
  • HYDRASTINE HYDROCHLORIDE [MI]
  • SCHEMBL1374184
  • Hydrastine hydrochloride, European Pharmacopoeia (EP) Reference Standard
  • MLS002153888
  • Hydrastine hydrochloride
  • HYDRASTINE HYDROCHLORIDE [MART.]
  • Hydrastine HCl
  • beta-Hydrastine hydrochloride
  • HYDRASTINE HYDROCHLORIDE [WHO-DD]
  • DTXSID40974771
  • CHEMBL1256988
  • SMR001233238
  • UNII-562PDC2I9K
  • Q27261364
  • EINECS 227-692-9
  • Hydrastine hydrochloride [USP]
  • (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
  • Hydrastinhydrochlorid
  • 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

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