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Ajmalicine, hydrochloride

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  • Name Ajmalicine, hydrochloride
  • EINECSN/A
  • CAS No. 4373-34-6
  • Densityg/cm3
  • PSA54.56000
  • LogP3.91870
  • SolubilityN/A
  • Melting Point275-300oC
  • FormulaC21H24N2O3•ClH
  • Boiling Point524°Cat760mmHg
  • Molecular Weight388.93
  • Flash Point270.7°C
  • Transport InformationN/A
  • AppearanceN/A
  • SafetyPoison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl. See also AJMALICINE.
  • Risk CodesR22; R36/37/38
  • Molecular Structure
    Molecular Structure of 4373-34-6 (AJMALICINE HYDROCHLORIDE)
  • Hazard SymbolsXn
  • SynonymsXn

Ajmalicine, hydrochloride Chemical Properties

The Molecular Structure of Ajmalicine, hydrochloride (CAS NO.4373-34-6):
Molecular Formula: C21H25ClN2O3
Molecular Weight: 388.887800 g/mol  
Nominal Mass: 388 Da
Average Mass: 388.8878 Da
Monoisotopic Mass: 388.15537 Da 
ACD/LogP: 2.88 
Polar Surface Area: 43.7Å2 
Flash Point: 270.7 °C
Enthalpy of Vaporization: 79.78 kJ/mol
Boiling Point: 524 °C at 760 mmHg
Vapour Pressure: 4.47E-11 mmHg at 25°C 
InChI: InChI=1/C21H24N2O3.ClH/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3;1H/t12-,15-,16+,19-;/m0./s1
Smiles:c12ccccc2c2c([nH]1)[C@@H]1C[C@H]3[C@H](C[N@@]1CC2)[C@@H](OC=C3C(OC)=O)C.Cl

Ajmalicine, hydrochloride Toxicity Data With Reference

1.    

orl-mus LDLo:50 mg/kg

    LDBU**    Langer Dissertation .(Breslow.: 1932),3.
2.    

ivn-mus LD50:56 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00444 .

Ajmalicine, hydrochloride Safety Profile

Poison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl. See also AJMALICINE.

Ajmalicine, hydrochloride Specification

 Ajmalicine, hydrochloride (CAS NO.4373-34-6) is also called as EINECS 224-471-9 ; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, monohydrochloride ; Raubasine hydrochloride ; gamma-Yohimbine hydrochloride ; Ajmalicine, monohydrochloride (8CI) ; Methyl (19alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate hydrochloride . 

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