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| CAS No.: | 1404-19-9 |
|---|---|
| Name: | Oligomycin |
| Molecular Structure: | |
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| Formula: | C45H74O11 |
| Molecular Weight: | 791.06 |
| Synonyms: | Nystatin dehydrate;Oligomycins; |
| EINECS: | 215-767-9 |
| Density: | 1.149 g/cm3 |
| Melting Point: | 84-100 °C |
| Boiling Point: | 886.345 °C at 760 mmHg |
| Flash Point: | 252.018 °C |
| Solubility: | Soluble in ether, benzene, absolute ethanol, glacial acetic acid and acetone |
| Appearance: | White to pale yellow powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 24/25 |
| PSA: | 536.99000 |
| LogP: | 17.71190 |
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Specification
The Oligomycin, with the CAS registry number 1404-19-9, is also known as Nystatin dehydrate. It belongs to the product categories of Macrolides Nitric Oxide and Cell Stress; Mitochondrial Inhibitors More...Close...; Antibiotics; Antibiotics A to; Antibiotics by Application; Antifungal Antibiotics; Antineoplastic and Immunosuppressive Antibiotics; Cell Stress; Chemical Structure Class; Mechanism of Action; Spectrum of Activity. Its EINECS number is 215-767-9. This chemical's molecular formula is C45H74O11 and molecular weight is 791.06. What's more, its systematic name is (4E,18E,20Z)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyr an]-3,9,13-trione. Its classification code is Drug / Therapeutic Agent. It is macrolide created by Streptomyces that can be poisonous to other organisms. In addition, this chemical inhibits ATP synthase by blocking its proton channel, which is necessary for oxidative phosphorylation of ADP to ATP (energy production). Administering oligomycin to an individual can result in very high levels of lactate accumulating in the blood and urine. It should be sealed and stored at the temperature of -20 °C. Moreover, it should be protected from oxides. It is harmful if swallowed. When using it, you must avoid contact with eyes.
Physical properties of Oligomycin are: (1)ACD/LogP: 3.822; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 472.76; (6)ACD/BCF (pH 7.4): 472.76; (7)ACD/KOC (pH 5.5): 2858.32; (8)ACD/KOC (pH 7.4): 2858.30; (9)#H bond acceptors: 11; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 180.05 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 216.928 cm3; (15)Molar Volume: 688.208 cm3; (16)Polarizability: 85.997×10-24cm3; (17)Surface Tension: 49.87 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 252.018 °C; (20)Enthalpy of Vaporization: 146.323 kJ/mol; (21)Boiling Point: 886.345 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C(O)(C)C(O)C(C)C\C=C\C=C/C(CC)CCC3OC1(OC(C(CC1)C)CC(O)C)C(C)C(OC(=O)/C=C/C(C)C(O)C(C(=O)C(C)C(O)C2C)C)C3C
(2)Std. InChI: InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15-,21-18+
(3)Std. InChIKey: MNULEGDCPYONBU-ZUSSGZTJSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 2500ug/kg (2.5mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS | Antibiotics and Chemotherapy Vol. 4, Pg. 962, 1954. |
| mouse | LDLo | intravenous | 2500ug/kg (2.5mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Antibiotics and Chemotherapy Vol. 4, Pg. 962, 1954. |
| rat | LDLo | intraperitoneal | 500ug/kg (.5mg/kg) | Agents and Actions, A Swiss Journal of Pharmacology. Vol. 15, Pg. 660, 1984. |