Ajmaline-bis-chloroacetate-ester-hydrochloride: 0 Products found
Name
Ajmaline-bis-chloroacetate-ester-hydrochloride
EINECS
CAS No.
2552-89-8
Density
g/cm3
Solubility
Melting Point
Formula
C24H28 Cl2 N2 O4 . Cl H
Boiling Point
580.4°Cat760mmHg
Molecular Weight
515.90
Flash Point
304.8°C
Transport Information
Appearance
Safety
Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS, other Ajmalines.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
Ajmaline,bis(chloroacetate), hydrochloride (7CI); 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine,ajmalan-17,21-diol deriv.; 17,21-Bis(chloroacetyl)ajmaline hydrochloride

History

Formaldehyde was first reported by the Russian chemist Aleksandr Butlerov (1828-1886), but it was conclusively identified by August Wilhelm von Hofmann.

Chemistry

The Molecular Structure of Ajmaline, bis(chloroacetate) (ester), hydrochloride Bis(monochloroacetyl)ajmaline (CAS NO.2552-89-8):
Molecular Formula:C24H29Cl3N2O4
Molecular Weight: 515.857060 g/mol
Nominal Mass: 514 Da
Average Mass: 515.8571 Da
Monoisotopic Mass: 514.119291 Da
Classification: Drug / Therapeutic Agent
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.18
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 5.5): 144
ACD/BCF (pH 7.4): 191.91
ACD/KOC (pH 5.5): 1123.54
ACD/KOC (pH 7.4): 1497.33
Polar Surface Area: 59.08Å
Flash Point: 304.8 °C
Enthalpy of Vaporization: 86.82 kJ/mol
Boiling Point: 580.4 °C at 760 mmHg
Vapour Pressure: 1.82E-13 mmHg at 25°C 
InChI:InChI=1/C24H28Cl2N2O4.ClH/c1-3-12-13-8-16-21-24(14-6-4-5-7-15(14)27(21)2)9-17(20(13)22(24)31-18(29)10-25)28(16)23(12)32-19(30)11-26;/h4-7,12-13,16-17,20-23H,3,8-11H2,1-2H3;1H/t12-,13?,16-,17-,20?,21-,22+,23+,24?;/m0./s1
Smiles:O(C(CCl)=O)[C@H]1[N@@]2[C@@H]3[C@@H]4[C@@H](C[C@H]2[C@@H]2N(c5ccccc5[C@@]2([C@@H]4OC(=O)CCl)C3)C)[C@@H]1CC.Cl

Toxicity

1.    

scu-rat LD50:389 mg/kg

    FRPSAX    Farmaco, Edizione Scientifica. 19 (1964),865.
2.    

orl-mus LD50:570 mg/kg

    FRPSAX    Farmaco, Edizione Scientifica. 19 (1964),865.
3.    

scu-mus LD50:355 mg/kg

    FRPSAX    Farmaco, Edizione Scientifica. 19 (1964),865.
4.    

ivn-mus LD50:111 mg/kg

    FRPSAX    Farmaco, Edizione Scientifica. 19 (1964),865.
5.    

ivn-gpg LDLo:149 mg/kg

    FRPSAX    Farmaco, Edizione Scientifica. 19 (1964),865.

Safety

Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS, other Ajmalines.

Others

 Ajmaline, bis(chloroacetate) (ester), hydrochloride Bis(monochloroacetyl)ajmaline (CAS NO.2552-89-8) is also called as DCAA ; Dimonochloroacetylajmaline hydrochloride ; Dimonocloroacetilajmalina cloridrato ; Dimonocloroacetilajmalina cloridrato [Italian] .