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Substance Name: Hydrastine [USP]
RN: 118-08-1
UNII: 8890V3217X
InChIKey: JZUTXVTYJDCMDU-MOPGFXCFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N-O6

Molecular Weight

  • 383.3979
 
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Names and Synonyms

Name of Substance

  • Hydrastine
  • Hydrastine [USP]

Synonyms

  • (-)-beta-Hydrastine
  • (-)-Hydrastine
  • (1R,9S)-beta-Hydrastine
  • 4-27-00-06833 (Beilstein Handbook Reference)
  • beta-Hydrastine
  • BRN 0098575
  • EINECS 204-233-0
  • Hydrastine
  • l-Hydrastine
  • Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-
  • UNII-8890V3217X

Systematic Names

  • 6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinoline-5-yl)-1(3H)-isobenzo furan
  • Hydrastine

Registry Numbers

CAS Registry Number

  • 118-08-1

FDA UNII

  • 8890V3217X

Other Registry Numbers

  • 26294-47-3
  • 28638-96-2
  • 5988-13-6

System Generated Number

  • 0000118081

Structure Descriptors

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/t18-,19+/m1/s1

InChIKey

JZUTXVTYJDCMDU-MOPGFXCFSA-N

Smiles

CN1CCc2cc3c(cc2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)OC)OC)OCO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 104mg/kg (104mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 132 deg C   EXP
log P (octanol-water) 1.890 (none)   EST
Water Solubility 30 mg/L 20 EXP
Vapor Pressure 6.01E-11 mm Hg 25 EST
Henry's Law Constant 1.34E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.03E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.