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Name |
Ajmaline, hydrochloride |
EINECS | N/A |
CAS No. | 4410-48-4 | Density | N/A |
PSA | 46.94000 | LogP | 2.35940 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H26N2C2•7ClH | Boiling Point | N/A |
Molecular Weight | 581.70 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl. See also other Ajmalines. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
The Molecular Structure of Ajmaline, hydrochloride (CAS NO.4410-48-4):
Molecular Formula: C20H27ClN2O2
Molecular Weight: 362.893580 g/mol
Nominal Mass: 362 Da
Average Mass: 362.8936 Da
Monoisotopic Mass: 362.176106 Da
ACD/LogP: 0.78
Polar Surface Area: 24.94Å2
Flash Point: 285.2 °C
Enthalpy of Vaporization: 83.4 kJ/mol
Boiling Point: 519.4 °C at 760 mmHg
Vapour Pressure: 1.29E-11 mmHg at 25°C
InChI: InChI=1/C20H26N2O2.ClH/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24;/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;1H/t10-,11?,14-,15-,16?,17-,18+,19+,20?;/m0./s1
Smiles: C1[C@@]23[C@@H]([C@@H]4[C@@H]5[C@@H]([C@H]([N@@]([C@H]([C@@H]3N(C)c3c2cccc3)C5)[C@@H]14)O)CC)O.Cl
1. | orl-mus LD50:440 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 127 (1960),163. | ||
2. | ipr-mus LD50:105 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 127 (1960),163. | ||
3. | ivn-mus LD50:26 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 127 (1960),163. | ||
4. | ivn-cat LDLo:2 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 216 (1975),63. |
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl. See also other Ajmalines.
Ajmaline, hydrochloride (CAS NO.4410-48-4) is also called as Chlorhydrate de raugalline ; Chlorhydrate de raugalline [French] ; EINECS 224-562-3 ; Ajmalan-17(R),21alpha-diol hydrochloride ; Ajmalan-17,20-diol, hydrochloride, (17R,21alpha)- .