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Cefazolin

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Name

Cefazolin

EINECS 247-362-8
CAS No. 25953-19-9 Density 2.01 g/cm3
PSA 234.93000 LogP -0.30730
Solubility N/A Melting Point 198-200 °C
Formula C14H14N8O4S3 Boiling Point N/A
Molecular Weight 454.514 Flash Point N/A
Transport Information N/A Appearance needle-like crystals
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 25953-19-9 (Cefazolin) Hazard Symbols HarmfulXn
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;

Article Data 16

Cefazolin Specification

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.

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