5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2R)-2-(formyloxy)-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,sodium salt (1:1), (6R,7R)- (42540-40-9)

The Cefamandole nafate ,?with cas registry number of 42540-40-9, is a kind of Anti-Bacterial Agents; Anti-Infective Agents; Antibacterial; and Drug / Therapeutic Agent. Its IUPAC name is called sodium (6R,7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate . And its systematic name is Sodium (6R-(6alpha,7beta(R*)))-7-(((formyloxy)phenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate .

Physical properties of?Cefamandole nafate are:?(1) ACD/LogP: 1.80 ; (2) # of Rule of 5 Violations: 1 ; (3) #H bond acceptors: 12 ; (4) #H bond donors: 2 ; (5) #Freely Rotating Bonds: 9 ; (6) Polar Surface Area: 198.42??².

When you are using this chemical, please be cautious about it as the following:
The Cefamandole nafate is moderately toxic by intravenous route. It is irritating to eyes, respiratory system and skin, and may cause sensitization by inhalation and skin contact. When heated to decomposition, it emits very toxic fumes of NO_x, Na₂O and SO_x. Wear suitable protective clothing before use it. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI:InChI=1/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14+,17-;/m1./s1 ;
(2)Smiles:N12[C@@H]([C@@H](NC([C@H](c3ccccc3)OC=O)=O)C2=O)SCC(=C1C(=O)[O-])CSc1n(nnn1)C.[Na+]

The toxicity data is as follows: