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CAS No.: | 25953-19-9 |
---|---|
Name: | Cefazolin |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C14H14N8O4S3 |
Molecular Weight: | 454.514 |
Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-,(6R,7R)- (9CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-,(6R-trans)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-(8CI);7-(1H-Tetrazol-1-ylacetamido)-3-(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylicacid;Cefamezin;Cefaprim;CEZ;Cefazoline;Cephamezine;Cephazolin;Elzogram;Zinol;Cephazoline; |
EINECS: | 247-362-8 |
Density: | 2.01 g/cm3 |
Melting Point: | 198-200 °C |
Appearance: | needle-like crystals |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 234.93000 |
LogP: | -0.30730 |
This chemical is called Cefazolin, and its CAS registry number is 25953-19-9. With the molecular formula of C14H14N8O4S3, its appearance is needle-like crystals. It's mainly used to treat bacterial infections of the skin and moderately severe bacterial infections involving the lung, bone, joint, stomach, blood, heart valve, and urinary tract. However, its possible side effects include diarrhea, stomach pain or upset stomach, vomiting, and rash.
Other characteristics of the Cefazolin can be summarised as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -2.58; (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: 7; (12)Polar Surface Area: 215.14 Å2; (13)Index of Refraction: 1.961; (14)Molar Refractivity: 109.76 cm3; (15)Molar Volume: 225.4 cm3; (16)Polarizability: 43.51×10-24cm3; (17)Surface Tension: 107.6 dyne/cm; (18)Density: 2.01 g/cm3.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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@@H]2NC(=O)Cn3nnnc3)CSc4nnc(s4)C)C(=O)O
2.InChI: InChI=1/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
3.InChIKey:MLYYVTUWGNIJIB-BXKDBHETBA
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intramuscular | 4gm/kg (4000mg/kg) | Byoin Yakugaku. Hospital Pharmacology. Vol. 3, Pg. 220, 1978. | |
mouse | LD50 | intravenous | 3gm/kg (3000mg/kg) | Byoin Yakugaku. Hospital Pharmacology. Vol. 3, Pg. 220, 1978. |