Clavulanic acid & Ticarcillin, 86482-18-0, Clavulanic acid & Ticarcillin buy,High purity Clavulanic acid & Ticarcillin,Clavulanic acid & Ticarcillin price CAS NO.86482-18-0

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1. Introduction of Clavulanic acid & Ticarcillin

The Clavulanic acid & Ticarcillin, with the CAS registry number 86482-18-0, is also known as Clavulanic acid mixture with ticarcillin. It belongs to the classification codes Anti-Bacterial Agents; Anti-Infective Agents; Drug / Therapeutic Agent; Enzyme inhibitors. This chemical's molecular formula is C₂₃H₂₅N₃O₁₁S₂ and molecular weight is 583.59. What's more, both its IUPAC name and systematic name are the same which is called (2S,5R,6R)-6-[[(2R)-2-Carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

2. Basic Information of Clavulanic acid & Ticarcillin

1) Properties
Physical properties about Clavulanic acid & Ticarcillin are: (1)ACD/LogP: 0.687; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.02; (4)ACD/LogD (pH 7.4): -4.06; (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: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 146.76 ?2; (13)Flash Point: 418.4 °C; (14)Enthalpy of Vaporization: 117.35 kJ/mol; (15)Boiling Point: 768.3 °C at 760 mmHg; (16)Vapour Pressure: 7.97E-25 mmHg at 25 °C.

2) Descriptors of Structure
(1) SMILES: O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccsc1)C(=O)O)[C@H]3SC2(C)C.O=C(O)[C@H]2C(/O[C@H]1N2C(=O)C1)=C/CO
(2) InChI: InChI=1S/C15H16N2O6S2.C8H9NO5/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);1,6-7,10H,2-3H2,(H,12,13)/b;4-1-/t7-,8-,9+,12-;6-,7-/m11/s1
(3) InChIKey: XWMVMWTVLSLJGY-FAJPTIRJSA-N
 

3) Toxicity