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CAS No.: | 1401-69-0 |
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Name: | Tylosin |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C46H77NO17 |
Molecular Weight: | 916.114 |
Synonyms: | Fradizine;Oxacyclohexadeca-11,13-diene-7-acetaldehyde,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-a-L-ribo-hexopyranosyl)-3-(dimethylamino)-b-D-glucopyranosyl]oxy]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-,[4R-(4R*,5S*,6S*,7R*,9R*,11E,13E,15R*,16R*)]-;Tylocine;Tylosin A;Tylosine;Vubityl 200; |
EINECS: | 215-754-8 |
Density: | 1.24 g/cm3 |
Melting Point: | 18-132oC |
Boiling Point: | 980.7 °C at 760 mmHg |
Flash Point: | 546.9 °C |
Solubility: | H2O: soluble 50 mg/mL |
Appearance: | COA |
Hazard Symbols: | Xn |
Risk Codes: | 42/43 |
Safety: | 36 |
PSA: | 238.67000 |
LogP: | 1.83350 |
The Tylosin, with the CAS registry number 1401-69-0, has the systematic name [(2R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-( 2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside. Its molecular formula is C46H77NO17 and its molecular weight is 902.07. However, it should be sealed at 2-8°C. Keep it away from the oxides.
Other characteristics of the Tylosin can be summarised as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 2.97; (6)ACD/BCF (pH 7.4): 100.84; (7)ACD/KOC (pH 5.5): 23.58; (8)ACD/KOC (pH 7.4): 801.49; (9)#H bond acceptors: 18; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 183.67 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 233.84 cm3; (15)Molar Volume: 735.2 cm3; (16)Polarizability: 92.7×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 546.9 °C; (20)Enthalpy of Vaporization: 162.01 kJ/mol; (21)Boiling Point: 980.7 °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 may cause sensitization by inhalation and skin contact. Please wear suitable protective clothing if you use it.
You can still convert the following datas into molecular structure:
1.SMILES: O=CC[C@H]4C[C@H](C(=O)\C=C\C(=C\C(CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC)[C@H](OC(=O)C[C@@H](O)[C@H](C)[C@H]4O[C@@H]3O[C@@H]([C@@H](O[C@@H]2O[C@H]([C@H](O)[C@](O)(C2)C)C)[C@H](N(C)C)[C@H]3O)C)C C)C)C
2.InChI: InChI=1/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
3.InChIKey: WBPYTXDJUQJLPQ-SZRMRBKTBK
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
chicken | LD50 | oral | 2122mg/kg (2122mg/kg) | Antimicrobial Agents Annual. Vol. -, Pg. 595, 1960. | |
dog | LD50 | oral | > 800mg/kg (800mg/kg) | Antimicrobial Agents Annual. Vol. -, Pg. 595, 1960. | |
mouse | LD50 | intraperitoneal | 594mg/kg (594mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Food and Cosmetics Toxicology. Vol. 4, Pg. 1, 1966. |
mouse | LD50 | intravenous | 400mg/kg (400mg/kg) | Antibiotics and Chemotherapy Vol. 11, Pg. 328, 1961. | |
mouse | LD50 | oral | 10gm/kg (10000mg/kg) | "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 135, 1980. | |
rat | LD50 | intraperitoneal | 600mg/kg (600mg/kg) | Toxicology and Applied Pharmacology. Vol. 7, Pg. 478, 1965. | |
rat | LD50 | intravenous | 600mg/kg (600mg/kg) | Toxicology and Applied Pharmacology. Vol. 7, Pg. 478, 1965. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Toxicology and Applied Pharmacology. Vol. 7, Pg. 478, 1965. |