Cefmetazole

The CAS registry number of Cefmetazole is 56796-20-4. Its EINECS registry number is 260-384-2. The IUPAC name is (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. In addition, the molecular formula is C₁₅H₁₇N₇O₅S₃. What's more, it is a cephalosporin antibiotic, usually grouped with the second-generation cephalosporins. It has a high rate of efficacy in many types of infection.

Physical properties about this chemical are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.84; (4)ACD/LogD (pH 7.4): -2.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 219.44 Å²; (13)Index of Refraction: 1.797; (14)Molar Refractivity: 114.46 cm³; (15)Molar Volume: 268.3 cm³; (16)Polarizability: 45.37 ×10^-24cm³; (17)Surface Tension: 84.5 dyne/cm; (18)Density: 1.75 g/cm³.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. And it may cause sensitization by inhalation and skin contact. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N1/C(=C(\CS[C@@H]1[C@]2(OC)NC(=O)CSCC#N)CSc3nnnn3C)C(=O)O
(2)InChI: InChI=1/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1
(3)InChIKey: SNBUBQHDYVFSQF-HIFRSBDPBM

The toxicity data is as follows: