Ceftriaxone
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Category | Antibiotics |
Catalog number | BBF-00750 |
CAS | 73384-59-5 |
Molecular Weight | 554.58 |
Molecular Formula | C18H18N8O7S3 |
Purity | >98% |
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Description
It is produced by the strain of Semisynthetic third generation cephalosporin for injection. It has the third-generation cephalosporin commonness. It is characterized by a plasma elimination half-life of up to 7.1h, and one dose per day.
Specification
Related CAS | 74578-69-1 (disodium salt) 104376-79-6 (disodium salt, hemiheptahydrate) 958633-51-7 (monosodium salt) |
Synonyms | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-, (6R,7R)-; (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-, [6R-[6α,7β(Z)]]-; Biotrakson; Epicephin; Rocefin; Rocephalin; Rophex |
Storage | Store at -20 °C, under inert atmosphere |
IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Canonical SMILES | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O |
InChI | InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 |
InChI Key | VAAUVRVFOQPIGI-SPQHTLEESA-N |
Properties
Appearance | Off-white to Pale Yellow Solid |
Melting Point | >189 °C (dec.) |
Density | 1.96±0.1 g/cm3 (Predicted) |
Solubility | Soluble in DMSO (Slightly), Methanol (Slightly) |
LogP | -1.7 |
Toxicity
Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
Mechanism Of Toxicity | Ceftriaxone works by inhibiting the mucopeptide synthesis in the bacterial cell wall. The beta-lactam moiety of Ceftriaxone binds to carboxypeptidases, endopeptidases, and transpeptidases in the bacterial cytoplasmic membrane. These enzymes are involved in cell-wall synthesis and cell division. By binding to these enzymes, Ceftriaxone results in the formation of of defective cell walls and cell death. |
Toxicity | LD50: >10 000 mg/kg (Oral, Rat). |
Reference Reading
Spectrum
Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive
Experimental Conditions
Ionization Energy: 70 eV
Chromatography Type: Gas Chromatography Column (GC)
Instrument Type: Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution: 0.0001 Da
Molecular Formula: C18H18N8O7S3
Molecular Weight (Monoisotopic Mass): 554.0461 Da
Molecular Weight (Avergae Mass): 554.58 Da
Predicted LC-MS/MS Spectrum - 10V, Positive
Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C18H18N8O7S3
Molecular Weight (Monoisotopic Mass): 554.0461 Da
Molecular Weight (Avergae Mass): 554.58 Da
1H NMR Spectrum
Experimental Conditions
Nucleus: 1H
Frequency: 100
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2