(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS No. 80370-57-6

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Basic Information

CAS Number

80370-57-6

Molecular Formula

C19H17N5O7S3

Molecular Weight

523.57 g/mol

AD

Basic Physical Properties

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O

InChI

InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1

InChIKey

ZBHXIWJRIFEVQY-IHMPYVIRSA-N

LogP

0.9810000000000001

Topological Polar Surface Area

177.42 Ų

Hydrogen Bond Donor/Acceptor

4 / 12

Complexity

945

Synonyms & References

English

  • CEFTIOFUR [HSDB]
  • s5356
  • (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[[2-furanyl(oxo)methyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Ceftiofurum
  • Ceftiofur 100 mug/mL in Acetonitrile/Water
  • BRD-K82960980-003-02-7
  • BDBM50103524
  • Ceftiofur (INN)
  • AKOS015998831
  • CAS-80370-57-6
  • 83JL932I1C
  • 80370-57-6
  • CEFTIOFUR [INN]
  • (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(furan-2-ylcarbonylsulfanylmethyl)-8-oxidanylidene-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)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))-
  • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-3-(((2-FURANYLCARBONYL)THIO)METHYL)-8-OXO-, (6R-(6.ALPHA.,7.BETA.(Z)))-
  • CCG-269876
  • A839898
  • SCHEMBL332041
  • D07657
  • Naxcel
  • NCGC00167543-01
  • CEFTIOFUR (EMA EPAR VETERINARY)
  • Ceftiofur Free Acid
  • ExcedeSterile
  • Naxcel (veterinary)
  • Tox21_112540
  • UNII-83JL932I1C
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6R,7R)-
  • Ceftiofur
  • (6R,7R)-7-

MDL Number

MFCD00864953

Customs Code

2941905700

FAQ

What is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 80370-57-6)?

This compound, with the CAS number 80370-57-6, is a complex organic molecule containing a bicyclic structure, a thiazole ring, and a furan group. It is known for its diverse functional groups, including amino, methoxyimino, and sulfanyl moieties, which contribute to its chemical reactivity and biological activity. The compound exhibits moderate solubility in polar solvents and is typically used in specialized chemical applications due to its structural complexity.

What are the main uses of (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 80370-57-6)?

This compound is primarily used in pharmaceutical research as a potential inhibitor of certain enzymes, particularly those involved in metabolic pathways. It may also find applications in the development of antibiotics and anti-inflammatory agents. Additionally, it is used in the synthesis of other complex organic molecules and can be relevant in biochemical studies due to its unique structure and functional groups.

Is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 80370-57-6) safe?

The safety of this compound depends on its handling and application. It is generally considered toxic when ingested or inhaled, so proper protective measures such as gloves, goggles, and a well-ventilated environment are recommended. Safety standards for handling this compound are typically set by regulatory bodies, and it should be used with caution in laboratory settings to avoid exposure and ensure safe disposal.

How should (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 80370-57-6) be stored?

This compound should be stored in a cool, dry place away from direct light. It is best kept in a sealed, airtight container at a temperature below 25°C to maintain stability. Due to its sensitivity to moisture, it should be stored in a low-humidity environment. Proper labeling and storage conditions are essential to ensure safety and prevent degradation.

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