Ceftriaxone disodium hemiheptahydrate - ≥98% , CAS No.104376-79-6

CAS: 104376-79-6 Cat. No.: C129519 Molecular Weight: 661.58 EC Number: 626-956-4 PubChem CID: 11953897

GRADE & PURITY ≥98%

Synonyms

CEFTRIAXONE SODIUM [USAN] | ROCEPHIN KIT COMPONENT CEFTRIAXONE SODIUM | CEFTRIAXONE (AS DISODIUM HEMIHEPTAHYDRATE) | UNII-98J6XDS46I | D00924 | Ro-13-9904 | BDBM26655 | Rocephin (TN) | 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Ceftriaxone sodium trihydrate is a third-generation cephalosporin antibiotic.
A potentially useful antibacterial agent for proteomics research.

Specifications

Synonyms

CEFTRIAXONE SODIUM [USAN] | ROCEPHIN KIT COMPONENT CEFTRIAXONE SODIUM | CEFTRIAXONE (AS DISODIUM HEMIHEPTAHYDRATE) | UNII-98J6XDS46I | D00924 | Ro-13-9904 | BDBM26655 | Rocephin (TN) | 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Used as an antibacterial agent.Potent β-lactam antibiotic. Effective against Gram-positive and Gram-negative bacteria. Neuroprotective effects in vivo .

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766808
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766808
• Canonical Smiles: CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;(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;heptahydrate
• InChIKey: KTAVBOYXMBQFGR-MAODNAKNSA-J
• INCHI: 1S/2C18H18N8O7S3.4Na.7H2O/c2*1-25-18(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;;;;;;;;;;;/h2*5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;;;;7*1H2/q;;4*+1;;;;;;;/p-4/b2*24-8-;;;;;;;;;;;/t2*9-,15-;;;;;;;;;;;/m11.........../s1
• Isomeric SMILES: CN1N=C(C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-])[O-].CN1N=C(C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-])[O-].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
• WGK Germany: 1
• RTECS: XI0368800
• Alternate CAS: 73384-59-5，74578-69-1
• PubChem CID: 11953897
• Molecular Weight: 661.58
• Reaxy-Rn: 9110623

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Cephems Alkylarylthioethers 1,2,4-triazines 1,3-thiazines Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid salts Azetidines Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Sulfenyl compounds Carboxylic acids Thiohemiaminal derivatives Carboximidic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organonitrogen compounds
• Molecular Framework: Not available
• Substituents: N-acyl-alpha amino acid or derivatives - Cephem - Aryl thioether - Alkylarylthioether - Meta-thiazine - Triazine - 1,2,4-triazine - Thiazole - Tertiary carboxylic acid amide - Azole - Beta-lactam - Heteroaromatic compound - Lactam - Isothiourea - Azetidine - Carboxylic acid salt - Carboxamide group - Carboximidic acid - Carboximidic acid derivative - Azacycle - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Hemithioaminal - Sulfenyl compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic zwitterion - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO 1 mg/mL Water 100 mg/mL Ethanol
• Sensitivity: Light sensitive
• Specific Rotation[α]: -160° (C=1,H2O)
• Melt Point(°C): 236°C

References

1. Yonghao Zhang, Yating Song, Liu Liu, Jie Zhang, Zhaoyi Zhang, Qian Li, Jing Yang, Wen Li, Lulu Huang, Xue Li, Yulei Zhang, Qiangshun Wu, Xuejie Guo.  (2023)  Electrochemical treatment of antibiotic wastewater containing ceftriaxone sodium by porous Ti/Magnéli Ti4O7 nanotube arrays.  Water Resources and Industry,      [PMID:] [10.1016/j.wri.2023.100235]

2. Haoran Chen, Zongping Wang, Yuxin Huang, Junchi Wei, Gang Guo, Lei Miao.  (2023)  Anaerobic co-metabolic degradation of ceftriaxone sodium: Performance and mechanism.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.136388]

3. Zhang Song-Lin, Yu Long, Su Peng-Chen, Ge Hong-Wei, Sun Ming-Tai, Wang Su-Hua.  (2022)  Microwave synthesis of zinc-trimesic acid metal–organic framework for visual fluorescence detection of tetracyclines.  CHEMICAL PAPERS,  76  (8): (4777-4786).  [PMID:] [10.1007/s11696-022-02205-0]

4. Jinhui Yang, Xiaogang Luo.  (2020)  Ag-doped TiO2 immobilized cellulose-derived carbon beads: One-Pot preparation, photocatalytic degradation performance and mechanism of ceftriaxone sodium.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2020.148724]

5. Yating Luo, Jinxing Li, Simou Wu, Wen Jia, Zhimo Zhou, Meixun Liu, Fengling Jiang, Ting Huang, Xi Shen, Yun Li, Fang He, Ruyue Cheng.  (2024)  Oral supplementation with Bifidobacterium infantis and 2′-fucosyllactose revives gut microbiota perturbation and intestinal and immune developmental delay following early-life antibiotic challenge in BALB/c mice.  JOURNAL OF DAIRY SCIENCE,      [PMID:39477061] [10.3168/jds.2024-24912]

6. Junchi Wei, Haoran Chen, Daotong Zhao, Jinlong Wang, Miao Zhang, Lei Miao.  (2026)  Enhancing ceftriaxone sodium degradation in anaerobic sludge through co-metabolic sludge addition without supplementary substrates.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2026.109451]

7. Weihao Zhao, Lin Gao, Yu Wu, Guihua Xiao, Angran Li, Mingrui Wang, Hongyu Liu, Jinyuan Yang, Dongyue Jin, Yuanlong Zhang, Yongyi Yuan, Pu Dai.  (2026)  The Optically Guided and Pre-assembled Implantation Cranial Window Reveals Cortical Spatial Representations during Navigation.  Research,      [PMID:41551915] [10.34133/research.1072]