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(6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) | CAS No. 75975-70-1

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

Basic Information

Chemical_Structure_Of
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CAS Number

75975-70-1

Molecular Formula

C16H21N3O5S

Molecular Weight

367.43 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Amines
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

140-142° (dec)

SMILES

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CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O.O

InChI

InChI=1S/C16H19N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1

InChIKey

VHNPSPMQGXQSET-CYJZLJNKSA-N

LogP

-0.4760999999999992

pKa

pK1 2.63; pK2 7.27(at 25℃)

Topological Polar Surface Area

144.23000000000002 Ų

Hydrogen Bond Donor/Acceptor

6 / 8

Complexity

697

Synonyms & References

English

  • UNII-FUC0D71IZN
  • cefradine monohydrate
  • CS-0099494
  • AKOS025310716
  • CHEMBL4303427
  • Cephradinemonohydrate
  • CEPHRADINE MONOHYDRATE [MI]
  • Q27278208
  • DTXSID00860560
  • SCHEMBL956675
  • (6R,7R)-7-((R)-2-AMINO-2-(1,4-CYCLOHEXADIEN-1-YL)ACETAMIDO)-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID MONOHYDRATE
  • FUC0D71IZN
  • 75975-70-1
  • HY-128449
  • CEFRADINE MONOHYDRATE [WHO-DD]
  • Cephradine hydrate
  • s5296
  • (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
  • CCG-268254
  • Cephradine (monohydrate)
  • Cephradine monohydrate
  • [6R-[6alpha,7beta(R*)]]-7-[(Amino-1,4-cyclohexadien-1-ylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrate

MDL Number

MFCD09752816

FAQ

What regulatory guidelines apply to (6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 75975-70-1)?
The compound (6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 75975-70-1) is subject to various regulatory guidelines including GHS classification, REACH regulations for EU-based manufacturers, and FDA/EPA requirements for biocidal products and pharmaceuticals. Specific handling, storage, and disposal procedures must be adhered to based on its classification and intended use.

Are there alternatives to (6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 75975-70-1) in synthesis?
Several alternatives can be considered in the synthesis of (6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 75975-70-1). Common analogs include related amino acid derivatives, and isomers such as (6S,7R) and (6R,7S) isomers can be explored. Substituting with alternative reagents like other amino acids or aldehydes may also provide viable options.

What is the market or research trend for (6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 75975-70-1)?
The market for (6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 75975-70-1) is driven by its applications in pharmaceuticals and biocidal products. Research trends focus on its medicinal properties and potential in drug development. Market analysis indicates increasing demand due to its unique chemical structure and biological activity.

How should waste containing (6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 75975-70-1) be handled?
Waste containing (6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) (CAS: 75975-70-1) should be collected in appropriate containers and stored under controlled conditions to prevent degradation. Incineration is a common method, but professional waste disposal services are recommended for safe and compliant disposal. Environmental protection measures include proper labeling and adherence to local regulations to minimize environmental impact.

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ChengDouBiaoYang Biotechnology Co Ltd

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Shanghai Jieshukai Biotechnology Co., Ltd.

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(6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) — ShangHaiMaiRuiErShengHua Technology Co Ltd

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(6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

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(6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) — ShangHaiChuangSai Technology Co Ltd

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(6R,7R)-7-{[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1) — Shanghai Jixiang Biotechnology Co., Ltd.

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