CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Color/Form | Needles from aqueous acetone |
Melting Point | 198-200 °C (decomposes) |
Solubility | Mol wt 476.50. White to yellowish-white, odorless crystalline powder with a bitter, salty taste. Crystallizes in alpha, beta, and gamma forms (Kariyone). Easily sol in water, slightly sol in methanol, ethanol. Practically insol in benzene, acetone, chloroform /Sodium salt/ |
LogP | -0.58 |
Stability/Shelf Life | Following reconstitution with sterile water for injection, bacteriostatic water for injection, or 0.9% sodium chloride injection, soln containing approx 225 or 330 mg of cefazolin per ml have a pH of approx 4.5-6 and are stable for 24 hr @ room temp or 96 hr @ 5 °C. Rapid hydrolysis of the drug occurs when pH exceeds 8.5, and precipitation of the insoluble free acid may occur when pH is below 4.5. |
Collision Cross Section | 186.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix] |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Health Hazard GHS08 |
GHS Hazard Statements |
H317:Sensitisation, Skin H334:Sensitisation, respiratory |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
Molecular Weight | 454.5 g/mol |
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XLogP3 | -0.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 12 |
Rotatable Bond Count | 7 |
Exact Mass | 454.03001448 g/mol |
Monoisotopic Mass | 454.03001448 g/mol |
Topological Polar Surface Area | 235 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 740 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cefazolin is a first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively. It has a role as an antibacterial drug. It is a cephalosporin, a member of thiadiazoles, a member of tetrazoles and a beta-lactam antibiotic allergen. It is a conjugate acid of a cefazolin(1-).