-
Name
AJMALINE HYDROCHLORIDE
- EINECS
- CAS No. 4410-48-4
- Density
- Solubility
- Melting Point
- Formula C20H26N2C2•7ClH
- Boiling Point
- Molecular Weight 581.70
- Flash Point
- Transport Information
- Appearance
- 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
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA 46.94000
- LogP 2.35940
Ajmaline, hydrochloride Chemical Properties
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
Ajmaline, hydrochloride Toxicity Data With Reference
| 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. |
Ajmaline, hydrochloride Safety Profile
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 Specification
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)- .
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