CAS No.1404-19-9,Oligomycin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1404-19-9
Name:	Oligomycin

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.