Oxytetracycline

The Oxytetracycline, with the CAS registry number 79-57-2, is also known as 5-Hydroxytetracycline. Its EINECS number is 201-212-8. This chemical's molecular formula is C₂₂H₂₄N₂O₉ and molecular weight is 460.43. What's more, its systematic name is (4S,4aR,5S,5aR,6S,12aS) -4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy -6-methyl-1,12-dioxo-1,4,4a,5,5a,6,12,12a-octahydrotetracene -2-carboxamide. Its classification codes are: (1)Agricultural Chemical; (2)Anti-Bacterial Agents; (3)Anti-Infective Agents; (4)Drug / Therapeutic Agent; (5)Germicide, bactericide, disinfectant; (6)Human Data; (7)Mutation data; (8)Reproductive Effect. It is a tetracycline analog isolated from the actinomycete streptomyces rimosus and used in a wide variety of clinical conditions. It should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. Oxytetracycline is a broad spectrum antibiotic that is active against a wide variety of bacteria. It is still used to treat infections caused by chlamydia. It is used to treat acne, due to its activity against the bacteria on the skin that cause acne. Moreover, it is also used to treat flare-ups of chronic bronchitis, due to its activity against the bacteria usually responsible, Haemophilus influenzae. It may also be used to treat other rarer infections, such as those caused by a group of micro-organisms called rickettsiae.

Physical properties of Oxytetracycline are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -2.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 113.07 Å²; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 110.6 cm³; (15)Molar Volume: 268.1 cm³; (16)Polarizability: 43.84×10^-24cm³; (17)Surface Tension: 111.3 dyne/cm; (18)Density: 1.71 g/cm³; (19)Flash Point: 394 °C; (20)Enthalpy of Vaporization: 111.54 kJ/mol; (21)Boiling Point: 727.8 °C at 760 mmHg; (22)Vapour Pressure: 3.09E-22 mmHg at 25°C.

Preparation: it is derived by fermentation of Streptomyces rimosus (Streptomyces rimosus). You can get the product by drying the solid after adding calcium carbonate into the fermentation broth, followed by filtration.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to respiratory system and skin. It has a possible risk of harm to the unborn child. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you must avoid contact with eyes and need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C2=C(/O)c1c(cccc1O)[C@](O)(C)[C@H]2[C@H](O)[C@@H]3[C@@]4(O)C(=O)/C(C(=O)[C@H]3N(C)C)=C(\O)N
(2)Std. InChI: InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11-/t12-,13-,14+,17+,21-,22+/m1/s1
(3)Std. InChIKey: FYDOORKXBWEKQM-GUQPPTOYSA-N

The toxicity data is as follows: