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what is tygacil

What is tygacil
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    1. What is tygacil?

    Tygacil, with the CAS registry number 220620-09-7, has its Molecular Formula of C29H39N5O8 and Molecular Weight of 585.65. This chemcial has other names, like Tygacil, (4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide. For being one kind of orange solid, this chemical is often used as a glycylcycline antibiotic, which is used to treat infection by drug resistant bacteria such as Staphylococcus aureus (Staph aureus) and Acinetobacter baumannii. The classification code of Tygacil are as below: Anti-Bacterial Agents; Anti-Infective Agents; Antibacterial [bacterial protein synthesis inhibitor].

    2. Chemical properties of Tygacil

    Properties of tygacil are as below: (1)ACD/LogP: -1.301; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.68; (4)ACD/LogD (pH 7.4): -3.98; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 13; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 205.76; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 151.253 cm3; (15)Molar Volume: 402.53 cm3; (16)Polarizability: 59.962×10-24cm3; (17)Surface Tension: 80.036003112793 dyne/cm; (18)Density: 1.455 g/cm3; (19)Flash Point: 492.612 °C; (20)Enthalpy of Vaporization: 135.666 kJ/mol; (21)Boiling Point: 890.922 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

    People can use the following data to convert to the molecule structure:
    1). SMILES:CC(C)(C)NCC(=O)Nc1cc(c2C[C@H]3C[C@H]4[C@H](N(C)C)C(\O)=C(\C(N)=O)C(=O)[C@@]4(O)C(/O)=C3/C(=O)c2c1O)N(C)C
    2). Std. InChI:InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1 
    3). Std. InChIKey:FPZLLRFZJZRHSY-HJYUBDRYSA-N

    3. Supply of tygacil in China

    There are many leading suppliers in China which manufacture Tygacil, such as Hangzhou Holypharm Biotech Co.,Ltd. This company is specialized in active pharmaceutical ingredients and intermediates; agrochemicals and Veterinary products.

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