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| CAS No.: | 465-16-7 |
|---|---|
| Name: | OLEANDRIN |
| Molecular Structure: | |
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| Formula: | C32H48 O9 |
| Molecular Weight: | 576.728 |
| Synonyms: | Oleandrin(6CI,7CI,8CI);Corrigen;Foliandrin;Folinerin;Neriol;Neriolin;Neriostene;Oleandrigenin 3-O-a-L-oleandroside;Oleandrine; |
| EINECS: | 207-361-5 |
| Density: | 1.261g/cm3 |
| Melting Point: | 250°C |
| Boiling Point: | 693.669oC at 760 mmHg |
| Flash Point: | 217.166oC |
| Hazard Symbols: | T |
| Risk Codes: | 23/24/25-33-23/25 |
| Safety: | Poison by subcutaneous and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 120.75000 |
| LogP: | 3.68100 |
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Specification
Oleandrin, its cas register number is 465-16-7. It also can be called (3b,5b,16b)-16-(Acetyloxy)-3-[(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide; Neriolin; Folinerin . Its ingestion can cause both gastrointestinal and cardiac effects and reactions consist of irregular heart rate, sometimes characterized by a racing heart at first that then slows to below normal further along in the reaction. Oleandrin has been used for many years in China and Russia for its properties as a cardiac glycoside, for both suicidal and therapeutic purposes as in treatment of cardiac insufficiency.
Physical properties about Oleandrin are: (1)ACD/LogP: 2.302; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.30; (4)ACD/LogD (pH 7.4): 2.30; (5)ACD/BCF (pH 5.5): 33.10; (6)ACD/BCF (pH 7.4): 33.10; (7)ACD/KOC (pH 5.5): 426.08; (8)ACD/KOC (pH 7.4): 426.08; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 149.463 cm3; (14)Molar Volume: 457.207 cm3; (15)Polarizability: 59.252 10-24cm3; (16)Surface Tension: 52.9879989624023 dyne/cm; (17)Density: 1.261 g/cm3; (18)Flash Point: 217.166 °C; (19)Enthalpy of Vaporization: 116.193 kJ/mol; (20)Boiling Point: 693.669 °C at 760 mmHg;
When you are using this chemical, please be cautious about it as the following:
1. Do not breathe dust;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
You can still convert the following datas into molecular structure:
(1)InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22?,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1;
(2)InChIKey=JLPDBLFIVFSOCC-RQGXVDJZSA-N;
(3)Smiles[C@@]12([C@@]([C@H]([C@H](C2)OC(=O)C)C2=CC(=O)OC2)(CCC2[C@H]1CC[C@H]1[C@@]2(CC[C@@H](C1)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC)C)C)O
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intravenous | 248ug/kg (.248mg/kg) | Farmacognosia. Vol. 13, Pg. 375, 1953. | |
| cat | LDLo | unreported | 240ug/kg (.24mg/kg) | "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 104, 1963. | |
| frog | LDLo | subcutaneous | 2250ug/kg (2.25mg/kg) | "Handbuch der Experimentellen Pharmakologie," Heffter, A., Berlin, Verlag von Julius Springer. V.1-3, 1920-35. For publisher information, see HEPHD2.Vol. E, Pg. 1, 1978. |