Product Name

  • Name

    (+)-B-HYDRASTINE HCL

  • EINECS
  • CAS No. 5936-28-7
  • Density
  • Solubility
  • Melting Point 115°C
  • Formula C21H21 N O6 . Cl H
  • Boiling Point 548.8oC at 760 mmHg
  • Molecular Weight 419.862
  • Flash Point 285.7oC
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
  • Risk Codes R22
  • Molecular Structure Molecular Structure of 5936-28-7 ((+)-B-HYDRASTINE HCL)
  • Hazard Symbols Xn
  • Synonyms 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-,hydrochloride, [S-(R*,S*)]-; 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, (3S)- (9CI); Hydrastine, hydrochloride (8CI);1,3-Dioxolo[4,5-g]isoquinoline, 1(3H)-isobenzofuranone deriv.; (1R,9S)-b-Hydrastine hydrochloride; b-Hydrastine hydrochloride
  • PSA 66.46000
  • LogP 3.61310

Hydrastine hydrochloride Chemical Properties

Product Name: Hydrastine hydrochloride (CAS NO.5936-28-7)


Molecular Formula: C21H22ClNO6
Molecular Weight: 419.86g/mol
Mol File: 5936-28-7.mol
Einecs: 227-692-9
Melting Point: 115°C
Boiling point: 548.8 °C at 760 mmHg
Storage Temperature: -20°C
Flash Point: 285.7 °C
Enthalpy of Vaporization: 82.85 kJ/mol
Vapour Pressure: 4.28E-12 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of Hydrastine hydrochloride (CAS NO.5936-28-7):
  IUPAC Name: (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
  Canonical SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl
  Isomeric SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=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
Product Categories: Alkaloids

Hydrastine hydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1gm/kg (1000mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 57, 1969.
rat LD50 subcutaneous 1270mg/kg (1270mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 57, 1969.

Hydrastine hydrochloride Safety Profile

Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Safety Information of Hydrastine hydrochloride (CAS NO.5936-28-7):
Hazard Codes: XnHarmful
Risk Statements: 22 
22:  Harmful if swallowed
Safety Statements: 36
36:  Wear suitable protective clothing
RIDADR: 1544
RTECS: MU6125000
HazardClass: 6.1(b)
PackingGroup: III

Hydrastine hydrochloride Specification

 Hydrastine hydrochloride , its CAS NO. is 5936-28-7, the synonyms are EINECS 227-692-9 ; Hydrastine HCl ; UNII-562PDC2I9K ; beta-Hydrastine hydrochloride .

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