Product Name

  • Name

    CASSAINE HYDROCHLORIDE

  • EINECS
  • CAS No. 33445-03-3
  • Density
  • Solubility
  • Melting Point
  • Formula C24H39NO4•ClH
  • Boiling Point 517.9°C at 760 mmHg
  • Molecular Weight 442.10
  • Flash Point 267°C
  • Transport Information
  • Appearance
  • Safety Deadly poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 33445-03-3 (CASSAINE HYDROCHLORIDE)
  • Hazard Symbols 3
  • Synonyms
  • PSA
  • LogP

Cassaine hydrochloride Chemical Properties

IUPAC Name: 2-Dimethylaminoethyl(2E)-2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate hydrochloride 
Canonical SMILES: CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)O)C.Cl
Isomeric SMILES: CC\1C2C(CC/C1=C\C(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)O)C.Cl
InChI: InChI=1S/C24H39NO4.ClH/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4;/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3;1H/b16-13+;
InChIKey: UQNFMXUHEOLGBU-ZUQRMPMESA-N 
Empirical Formula: C24H40ClNO4
Molecular Weight: 442.0317 g/mol
Flash Point: 267 °C
Enthalpy of Vaporization: 90.95 kJ/mol
Boiling Point: 517.9 °C at 760 mmHg
Vapour Pressure of Cassaine hydrochloride (CAS NO.33445-03-3): 6.87E-13 mmHg at 25 °C 
Following is the structure of Cassaine hydrochloride (CAS NO.33445-03-3):
                 

Cassaine hydrochloride Toxicity Data With Reference

1.    

ivn-dog LDLo:400 µg/kg

     JMCMAR    Journal of Medicinal Chemistry. 10 (1967),582.
2.    

ivn-cat LDLo:806 µg/kg

     JPHAA3    Journal of the American Pharmaceutical Association. 27 (1938),9.
3.    

ivn-gpg LDLo:2640 µg/kg

     APSXAS    Acta Pharmaceutica Suecdca. 13 (1976),35.

Cassaine hydrochloride Safety Profile

Deadly poison by intravenous route. When heated to decomposition, Cassaine hydrochloride (CAS NO.33445-03-3) emits toxic fumes of NOx and HCl.

Cassaine hydrochloride Specification

 Cassaine hydrochloride , its cas register number is 33445-03-3. It also can be called Cassaine HCl ; and 8-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta-hydroxy-14-alpha-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, hydrochloride, (E)- .

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