(6R,7R)-7-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic aciddisodium hydride
Basic information
- CAS
74578-69-1- Standard SMILES
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1.[Na+].[Na+]- InChIKey
FDRNWTJTHBSPMW-BBJOQENWSA-L- Molecular formula
- C18H16N8Na2O7S3
- Average molar mass
- 598.6 g/mol
- Monoisotopic mass
- 598.00994696
Overview
See also: Ceftriaxone (annotation moved to); Ceftriaxone sodium anhydrous (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- (6R,7R)-7-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic aciddisodium hydride
- IUPAC
- disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- English name
- Ceftriaxone sodium
- Molecular formula
- C18H19N8NaO7S3
- Molecular weight
- 578.57
Names & synonyms
(6R,7R)-7-((2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic aciddisodium hydride(6R,7R)-7-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic aciddisodium hydrideRefChem:405211998-887-097164-54-0LendacinLongacephRocephalinCeftriaxone Sodium [USP]Ceftriaxone disodiumTartriaksonMFCD00941454
Show more names
rocephinCeftriaxonesodiumnon-steriled(6R,7R)-7-[(2E)-2-(2-aMino-1,3-thiazol-4-yl)-2-(MethoxyiMino)acetaMido]-3-{[(2-Methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]Methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Properties
Computed structural properties
- Topological polar surface area
- 297 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,120
Experimental & physicochemical properties
Collision Cross Section212.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- Soluble in DMSO (50 mM)
- form
- Solid
- color
- White to off-white
- Water Solubility
- 40 mg/mL · Water : ≥ 40 mg/mL (66.60 mM)
- InChIKey
- CDCJSJLFRBHEHN-ZZKDXJNYNA-N
- SMILES
- C(C1=C(CS[C@]2([H])[C@H](NC(=O)/C(/C3N=C(N)SC=3)=N\OC)C(=O)N12)CSC1=NC(=O)C(=O)NN1C)(=O)O.[NaH] |&1:5,7,r|
- CAS DataBase Reference
- 74578 · 74578-69-1(CAS DataBase Reference)
- FDA UNII
- 598 PB148Q · R598PB148Q
- NCI Drug Dictionary
- ceftriaxone sodium
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H334-H317
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
DescriptionCeftriaxone is a cephalosporin (SEF a low spor in) antibiotic that is used to treat conditions such as lower respiratory tract infections, skin and skin structure infections, urinary tract infections, pelvic inflammatory disease, bacterial septicemia, bone and joint infections, and meningitis.
UsesCeftriaxone sodium is antibacteria，an impurity of Ceftriaxone (C244995). It is an antibacterial, a third-generation cephalosporin.
General DescriptionCeftriaxone was synthesized by HoffmannLa Roche in 1981. The triazinyl moiety was introduced at the 3 position of the cephem nucleus. The same side chain as possessed by cefotaxime and the other so-called third-generation cephalosporins was retained at the 7 position. The antibacterial activity of ceftiaxone is almost the same as that of cefotaxime in vitro, but its in vivo activity is 10 to 100 times higher. Its most characteristic property is its seven to eight hour half-life in serum, the longest among the known cephem antibiotics.
Upstream & downstream products
Upstream raw materials
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