(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate sulfate (1:1) | CAS No. 98753-19-6

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate sulfate (1:1)

Basic Information

CAS Number

98753-19-6

Molecular Formula

C22H24N6O9S3

Molecular Weight

612.7 g/mol

AD

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

200°C

Solubility

Soluble in DMSO

Specific Rotation

25D -4.7° (c = 5 in H2O)

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-].OS(=O)(=O)O

InChI

InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1

InChIKey

RKTNPKZEPLCLSF-QHBKFCFHSA-N

LogP

0.29410

Complexity

1040

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 1-(((6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-6,7-DIHYDRO-5H-1-PYRINDINIUM HYDROXIDE, INNER SALT, 7(SUP 2)-(Z)-(O-METHYLOXIME), SULPHATE (1:1)
  • CEFPIROME SULFATE [MART.]
  • 1-[[(6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyrindinium Inner Salt
  • 1-(((6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-6,7-DIHYDRO-5H-1-PYRIDINIUM HYDROXIDE 7(2)-(Z)-(O-METHYLOXIME) SULFATE
  • CAS-98753-19-6
  • 98753-19-6
  • CEFPIROME SULFATE [MI]
  • Tox21_112798
  • cefpirome sulphate
  • CEFPIROME SULFATE [USAN]
  • 84957-29-9
  • CEFPIROME SULFATE [JAN]
  • HR 810 sulfate
  • CHEMBL2106076
  • Cefpirome sulfate (JP17/USAN)
  • 5H-1-Pyrindinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-6,7-dihydro-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-, sulfate (1:1)
  • 1-(((6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-6,7-dihydro-5H-1-pyrindinium hydroxide, inner salt, 7(sup 2)-(Z)-(O-methyloxime), sulfate (1:1)
  • (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;sulfuric acid
  • SCHEMBL194241
  • Cefpirome sulfate [USAN:JAN]
  • NCGC00181339-01
  • Cefpirome sulfate 100 microg/mL in Acetonitrile:Water
  • UNII-BA5ALU2ZT9
  • HR-810 Sulfate
  • A858514
  • 5H-1-PYRINDINIUM, 1-((7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-6,7-DIHYDRO-, HYDROXIDE, INNER SALT, (6R-(6.ALPHA.,7.BETA.(Z)))-, SULPHATE (1:1)
  • HR-810 SULPHATE
  • Cefpirome sulfate (1:1)
  • D01401
  • CCG-270239
  • 5H-1-PYRINDINIUM, 1-((7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-6,7-DIHYDRO-, HYDROXIDE, INNER SALT, (6R-(6.ALPHA.,7.BETA.(Z)))-, SULFATE (1:1)

MDL Number

MFCD08234364

FAQ

What is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate sulfate (1:1) (CAS: 98753-19-6)?

This compound is a complex organic sulfate with the CAS number 98753-19-6. It contains a thiazole ring, a cyclopenta[b]pyridinium group, and multiple functional groups including amino, methoxyimino, and carboxylate. It is characterized by its high molecular weight and polar nature, making it suitable for applications requiring specific chemical reactivity and solubility properties.

What are the main uses of (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate sulfate (1:1) (CAS: 98753-19-6)?

This compound is primarily used in pharmaceutical research for its potential biological activities, including antimicrobial and anti-inflammatory properties. It may also find applications in organic synthesis and as a component in drug development processes due to its complex structure and reactivity. Its sulfate salt form suggests it could be used in formulations requiring ionization stability.

Is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate sulfate (1:1) (CAS: 98753-19-6) safe?

The safety of this compound depends on its specific application and exposure conditions. As a research chemical, it should be handled with appropriate personal protective equipment (PPE) and in a well-ventilated environment. Limited toxicity data is available, but standard safety protocols for handling organic sulfates and complex pharmaceutical intermediates should be followed to ensure safe use.

How should (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate sulfate (1:1) (CAS: 98753-19-6) be stored?

This compound should be stored in a cool, dry place away from direct light. It is recommended to keep it in a sealed container at a temperature range of 2-8°C to maintain stability. Moisture and humidity should be controlled, and it should be stored in a chemical-resistant container to prevent degradation and contamination.

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