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| CAS No.: | 480-49-9 |
|---|---|
| Name: | FILIPIN III |
| Article Data: | 2 |
| Molecular Structure: | |
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|
|
| Formula: | C35H58O11 |
| Molecular Weight: | 654.839 |
| Synonyms: | Filipin(7CI);Filipin III;14-Deoxylagosin;15-Deoxylagosin;Filimarisin;NSC 3364; |
| Density: | 1.161 g/cm3 |
| Melting Point: | 163-180° (Bergy, Eble) |
| Boiling Point: | 913.9 °C at 760 mmHg |
| Flash Point: | 279.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 208.37000 |
| LogP: | 1.88800 |
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Specification
This chemical is called Filipin III, and its product categories are Enzyme Inhibitors; Enzyme Inhibitors by Type; Substrate Analogs. The CAS registry number of this chemical is 480-49-9. Additionally, its product categories are classification codes are Agricultural Chemical; Anti-Bacterial Agents; Anti-Infective Agents; Antibiotics, Antiviral Agents; Drug / Therapeutic Agent; Fungicide, Bactericide, Wood Preservative; Mutation Data. Filipin III alters membrane function by interfering with membrane sterols, inhibits mitochondrial respiration, and is proposed as an antifungal agent. It should be stored at -20°C.
Other characteristics of the Filipin III can be summarised as followings: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.29; (8)ACD/KOC (pH 7.4): 14.29; (9)#H bond acceptors: 11; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 109.37 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 175.7 cm3; (15)Molar Volume: 563.7 cm3; (16)Polarizability: 69.65×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 279.3 °C; (20)Enthalpy of Vaporization: 150.84 kJ/mol; (21)Boiling Point: 913.9 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1OC(C(O)\C=C\C=C\C=C\C=C\C=C(/C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)C1C(O)CCCCC)C
2.InChI: InChI=1/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,23-14+
3.InChIKey: IMQSIXYSKPIGPD-ZPXVTHDFBU
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 17mg/kg (17mg/kg) | Cancer Chemotherapy Reports. Vol. 30, Pg. 9, 1963. |