Product Name

  • Name

    cytisine hydrochloride

  • EINECS
  • CAS No. 6047-01-4
  • Article Data1
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 152-153oC
  • Formula C11H14N2O•ClH
  • Boiling Point 218oC at 2 MM HG
  • Molecular Weight 226.706
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 6047-01-4 (cytisine hydrochloride)
  • Hazard Symbols
  • Synonyms (+/-)-cytisine hydrochloride;1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on,Monohydrochlorid;1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one,monohydrochloride;6-Aminopyrimidin-2(1H)-one hydrochloride;
  • PSA 71.77000
  • LogP 0.73530

Cytisine hydrochloride Chemical Properties

Molecule structure of Cytisine hydrochloride (CAS NO.6047-01-4):

Molecular Weight: 226.7026 g/mol
Molecular Formula: C11H15ClN2O 
Boiling Point: 434.1 °C at 760 mmHg
Flash Point: 216.3 °C
Enthalpy of Vaporization: 70.35 kJ/mol
Vapour Pressure: 6.11E-08 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 3
Tautomer Count: 5
Exact Mass: 226.087291
MonoIsotopic Mass: 226.087291
Topological Polar Surface Area: 33.5
Heavy Atom Count: 15
Complexity: 332 
Canonical SMILES: C1C2CNCC1C3=CC=CC(=O)[NH+]3C2.[Cl-]
InChI: InChI=1S/C11H14N2O.ClH/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11;/h1-3,8-9,12H,4-7H2;1H
InChIKey: NNYPHEBIGWBCNH-UHFFFAOYSA-N
EINECS of Cytisine hydrochloride (CAS NO.6047-01-4): 227-940-6

Cytisine hydrochloride Toxicity Data With Reference

1.    

orl-mus LD50:101 mg/kg

     BJPCBM    British Journal of Pharmacology. 35 (1969),161.
2.    

ipr-mus LD50:9400 µg/kg

     BJPCBM    British Journal of Pharmacology. 35 (1969),161.
3.    

ivn-mus LD50:1730 µg/kg

     BJPCBM    British Journal of Pharmacology. 35 (1969),161.

Cytisine hydrochloride Safety Profile

Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.

Cytisine hydrochloride Specification

 Cytisine hydrochloride (CAS NO.6047-01-4) is also named as (-)-7R:9S-Cytisine hydrochloride ; Cytisine HCl .

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