(6R,7R)-7-Amino-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 | CAS No. 58909-56-1

(6R,7R)-7-Amino-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

Basic Information

CAS Number

58909-56-1

Molecular Formula

C12H13N5O5S2

Molecular Weight

371.4 g/mol

AD

Basic Physical Properties

CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C12H13N5O5S2/c1-16-12(14-7(18)8(19)15-16)24-3-4-2-23-10-5(13)9(20)17(10)6(4)11(21)22/h5,10H,2-3,13H2,1H3,(H,15,19)(H,21,22)/t5-,10-/m1/s1

InChIKey

YTUNICCSPPTMJY-GPXNAGAYSA-N

LogP

-1.8581999999999983

Topological Polar Surface Area

151.38 Ų

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

721

Synonyms & References

English

  • DEACYL CEFTRIAXONE
  • EINECS 261-491-7
  • EC 261-491-7
  • (6R-trans)-7-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
  • (6R,7R)-7-Amino-3-(((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-7-amino-3-[[(2,5-dihydro-6-hydroxy-2-methyl-5-oxo-as-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.01oct-2-ene-2-carboxylic acid
  • 7-Amino-3-(((2,5-dihydro-6-hydroxy-2-methyl-5-oxo-1,2,4-triazin-3-yl)thio)methyl)cephalosporanic acid
  • Q27291716
  • 7beta-amino-3-(5,6-dioxo-2-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)thiomethyl-3-cephem-4-carboxylic acid
  • V9ZSC4T2AG
  • DEACYL CEFTRIAXONE [USP IMPURITY]
  • (6R,7R)-7-AMINO-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
  • (6R,7R)-7-amino-3-[[(2,5-dihydro-6-hydroxy-2-methyl-5-oxo-as-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • AKOS027378132
  • CEFTRIAXONE SODIUM IMPURITY E [EP IMPURITY]
  • (6R,7R)-7-Amino-3-(((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid
  • (6R,7R)-7-amino-3-[[(2,5-dihydro-6-hydroxy-2-methyl -5-oxo-as-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R-trans)-7-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-carboxylicacid
  • SCHEMBL9634167
  • SCHEMBL6400895
  • CEFTRIAXONE SODIUM IMPURITY C [IP]
  • (6R,7R)-7-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
  • Ceftriaxone Impurity E
  • 58909-56-1
  • UNII-V9ZSC4T2AG
  • YTUNICCSPPTMJY-GPXNAGAYSA-N
  • 7beta-amino-3-[(2,5-dihydro-6- hydroxy-2-methyl-5-oxo-1,2,4-triazin-3-yl)thiomethyl]ceph-3-em-4-carboxylic acid
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-amino-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-,(6R,7R)-
  • 7-Amino-3-[[(2,5-dihydro-6-hydroxy-2-methyl-5-oxo-1,2,4-triazin-3-yl)thio]methyl]cephalosporanic Aci
  • 7-Amino-3-[[(2,5-dihydro-6-hydroxy-2-methyl-5-oxo-1,2,4-triazin-3-yl)thio]methyl]cephalosporanic Acid
  • (6R-trans)-7-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

MDL Number

MFCD06658280

FAQ

What regulatory guidelines apply to (6R,7R)-7-Amino-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 (CAS: 58909-56-1)?

This compound is subject to various regulatory guidelines, including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for pharmaceutical and chemical substances. Producers and distributors must ensure compliance with local and international regulations regarding the handling, storage, and transportation of this chemical.

Are there alternatives to (6R,7R)-7-Amino-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 (CAS: 58909-56-1) in synthesis?

There are several alternatives to this compound in synthesis, including related analogs such as (6R,7R)-7-amino-3-(5,6-dioxo-2-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-ylsulfanyl)methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid and other structural isomers. Common alternative reagents include thiols, amines, and various protecting and deprotecting agents.

What is the market or research trend for (6R,7R)-7-Amino-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 (CAS: 58909-56-1)?

The market for this compound is growing due to its applications in pharmaceuticals and biotechnology. Research trends focus on its potential as an antibiotic and antifungal agent. Price trends are influenced by supply and demand, with increasing demand driven by ongoing clinical trials and new drug development. Emerging research fields include its use in targeted drug delivery systems and as a precursor in chemical syntheses.

How should waste containing (6R,7R)-7-Amino-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 (CAS: 58909-56-1) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a secure, well-ventilated area. For incineration or professional waste disposal, consult with a hazardous waste management company. Ensure all safety precautions are followed, including personal protective equipment (PPE) and proper labeling. Environmental protection measures include minimizing the release of vapors and preventing contamination of soil and water sources.

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