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| CAS No.: | 53003-10-4 |
|---|---|
| Name: | Salinomycin |
| Molecular Structure: | |
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| Formula: | C42H70O11 |
| Molecular Weight: | 751.011 |
| Synonyms: | Antibiotic 61477;Coxistac;Stereoisomer of a-ethyl-6-[5-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-5-methyl-2H-pyran-2-aceticacid;Salinomicina; |
| EINECS: | 258-290-1 |
| Density: | 1.18 g/cm3 |
| Melting Point: | 112.5-113.5 °C |
| Boiling Point: | 839.2 °C at 760 mmHg |
| Flash Point: | 243.2 °C |
| Solubility: | Soluble in ethanol |
| Appearance: | white or light yellow crystalline powder |
| Hazard Symbols: |
 T, Xi
|
| Risk Codes: | 25-36/37/38 |
| Safety: | 45-36-26 |
| Transport Information: | UN 3462 6.1/PG 2 |
| PSA: | 164.04000 |
| LogP: | 4.85330 |
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Specification
The IUPAC name of Salinomycin is (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid. With the CAS registry number 53003-10-4, it is also named as Coxistac. The product's categories are Interferes with Cell Membrane Permeability (Ionophores)Voltage-gated Ion Channels; Ionophores Spectrum of Activity; Antibacterial; Antibiotics; Antibiotics A to; Antibiotics N-S Antibiotics; Chemical Structure Class; L - Z Antibiotics; Mechanism of Action; Monovalent Ion Channels; Polyethers. Besides, it is white or light yellow crystalline powder, which should be stored at 2-8 °C. It is stable, but incompatible with strong oxidizing agents. In addition, its molecular formula is C42H70O11 and molecular weight is 751.01.
The other characteristics of this product can be summarized as: (1)EINECS: 258-290-1; (2)ACD/LogP: 6.10; (3)# of Rule of 5 Violations: 3; (4)ACD/LogD (pH 5.5): 4.93; (5)ACD/LogD (pH 7.4): 3.14; (6)ACD/BCF (pH 5.5): 1732.24; (7)ACD/BCF (pH 7.4): 27.83; (8)ACD/KOC (pH 5.5): 3375.29; (9)ACD/KOC (pH 7.4): 54.24; (10)#H bond acceptors: 11; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 15; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 201.02 cm3; (15)Molar Volume: 633.5 cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 243.2 °C; (19)Melting Point: 112.5-113.5 °C; (20)Enthalpy of Vaporization: 138.71 kJ/mol; (21)Boiling Point: 839.2 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-32 mmHg at 25 °C.
Preparation and Uses of Salinomycin: this chemical can be prepared by the fermentation of Streptomyces albus. Additionally, it is an antibacterial and coccidiostat ionophore therapeutic drug. It is also used in chicken fodder as a coccidiostat.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also toxic if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing. Moreover, in case of accident or if you feel unwell, please seek medical advice immediately (show label where possible).
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@H](CC)[C@@H]1O[C@H]([C@@H](C)CC1)[C@@H](C)[C@H](O)[C@@H](C(=O)[C@@H]([C@H]5O[C@@]/4(O[C@]3(O[C@](C)([C@@H]2O[C@@H](C)[C@@](O)(CC)CC2)CC3)[C@H](O)\C=C\4)[C@@H](C[C@@H]5C)C)CC)C
(2)InChI: InChI=1/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1
(3)InChIKey: KQXDHUJYNAXLNZ-XQSDOZFQBR
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 7mg/kg (7mg/kg) | Journal of Antibiotics. Vol. 31, Pg. 1, 1978. | |
| mouse | LD50 | oral | 50mg/kg (50mg/kg) | "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 813, 1978. |