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Sodium (6R,7S)-7-({N-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | CAS No. 76648-01-6

Sodium (6R,7S)-7-({N-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Basic Information

Chemical_Structure_Of
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CAS Number

76648-01-6

Molecular Formula

C22H28N9NaO9S2

Molecular Weight

649.6 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCN1CCN(C(=O)C1=O)C(=O)NC(C(C)O)C(=O)NC2(C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)[O-])OC.[Na+]

InChI

InChI=1S/C22H29N9O9S2.Na/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3;/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37);/q;+1/p-1/t10-,12+,19+,22-;/m0./s1

InChIKey

WNJOIIXGSLBJAS-FDVIUCIPSA-M

LogP

-3.57460

Complexity

1210

Synonyms & References

English

  • Tomiporan
  • Keiperazon
  • CEFBUPERAZONE SODIUM [MART.]
  • DTXSID50227467
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-((2,3-dioxo-4-ethyl-1-piperazinyl)formamido)-3-hydroxybutyramido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, monosodium salt, (6R-(6-alpha,7-alpha,7(2R*,3S*)))-
  • Q27252962
  • CHEBI:31365
  • CEFBUPERAZONE SODIUM [WHO-DD]
  • 1VX59V96BS
  • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R,3S)-2-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-3-HYDROXY-1-OXOBUTYL)AMINO)-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, SODIUM SALT (1:1), (6R,7S)-
  • D01736
  • Keiperazon (TN)
  • Cefbuperazone sodium (JP17)
  • Cefbuperazone sodium [JAN]
  • Cefbuperazone sodium salt
  • cefbuperazone sodium
  • sodium;(6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • T 1982
  • AC-5601
  • 76648-01-6
  • AKOS005146216
  • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(2-((2,3-DIOXO-4-ETHYL-1-PIPERAZINYL)FORMAMIDO)-3-HYDROXYBUTYRAMIDO)-7-METHOXY- 3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, MONOSODIUM SALT, (6R-(6-ALPHA,7-ALPHA,7(2R*,3S*)))-
  • CEFBUPERAZONE SODIUM SALT [MI]
  • UNII-1VX59V96BS
  • Cefbuperazone sodium
  • Sodium (6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • sodium,(6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-ca
  • sodium (6R,7S)-7-({N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

MDL Number

MFCD01750406

FAQ

What are the physical and chemical properties of (6R,7S)-7-({N-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 76648-01-6)?
This compound is a crystalline solid with a molecular weight of approximately 1012.5 g/mol. It is slightly soluble in water and organic solvents. Chemically, it is reactive towards nucleophiles and can undergo hydrolysis under basic conditions. It exhibits good stability under neutral to slightly acidic conditions.

How is (6R,7S)-7-({N-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 76648-01-6) typically synthesized?
This compound is typically synthesized via a multi-step process involving peptide coupling, tetrazole formation, and methylation. Key steps include the condensation of D-threonyl-D-alanine with a protected piperazine derivative, followed by the installation of a tetrazole group and methylation at the appropriate position.

What industries use (6R,7S)-7-({N-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 76648-01-6)?
This compound finds applications in the pharmaceutical industry, particularly in the development of novel therapeutic agents. Its unique chemical structure allows for the design of molecules with specific biological activities, making it valuable for drug discovery and synthesis.

What precautions should be taken when handling (6R,7S)-7-({N-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 76648-01-6)?
When handling this compound, it is essential to use appropriate Personal Protective Equipment (PPE), including gloves and goggles. Ensure that the work is conducted in a well-ventilated fume hood to minimize inhalation exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.

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BeiJingDongYaXinDeYaoWuYanJiu Co Ltd

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Hubei Hanwei Chemical Co., Ltd.

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Sodium (6R,7S)-7-({N-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate — Zhangjiajie Hengkang Biological Pharmaceutical Co., Ltd.

Zhangjiajie Hengkang Biological Pharmaceutical Co., Ltd.

CAS Number: 76648-01-6

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Sodium (6R,7S)-7-({N-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate — Hubei Nona Technology Co., Ltd.

Hubei Nona Technology Co., Ltd.

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HuBeiGuoYunFuRui Technology Co Ltd

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FaMuRuiSiYiYaoKeJi （ BeiJing ） Co Ltd

CAS Number: 76648-01-6

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Sodium (6R,7S)-7-({N-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

CAS Number: 76648-01-6

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