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Name	Ajmaline, bis(chloroacetate) (ester), hydrochloride	EINECS	N/A
CAS No.	2552-89-8	Density	g/cm³
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C24H28 Cl2 N2 O4 . Cl H	Boiling Point	580.4°Cat760mmHg
Molecular Weight	515.90	Flash Point	304.8°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NO_x and HCl. See also ESTERS, other Ajmalines.	Risk Codes	3:;
Molecular Structure		Hazard Symbols	3
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

Ajmaline, bis(chloroacetate) (ester), hydrochloride Chemical Properties

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: 59.08Å²
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

Ajmaline, bis(chloroacetate) (ester), hydrochloride Toxicity Data With Reference

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.

Ajmaline, bis(chloroacetate) (ester), hydrochloride Safety Profile

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

Ajmaline, bis(chloroacetate) (ester), hydrochloride Specification

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] .

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