Cefetamet - Moligand™, ≥97% , CAS No.65052-63-3

CAS: 65052-63-3 Cat. No.: C337846 Summenformel: C₁₄H₁₅N₅O₅S₂ Molekulargewicht: 397.43 EG-Nummer: 675-838-9

GRADE & PURITY Moligand™, ≥97%

Synonyms

Deacetoxycefotaxime, 97% | (+/-)-2,3-dibromo-1,4-butanediol | CEFETAMET [USP-RS] | CEMT | Ro-15-8074 | SCHEMBL65620 | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Cefetamet acid is a third-generation cephalosporin antibiotic and the active agent of Cefeamet pivoxil after hydrolysis.

Specifications

Synonyme

Deacetoxycefotaxime, 97% | (+/-)-2,3-dibromo-1,4-butanediol | CEFETAMET [USP-RS] | CEMT | Ro-15-8074 | SCHEMBL65620 | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic

Spezifikationen & Reinheit

Moligand™, ≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504763883
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763883
• Kanonisches Lächeln: CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O
• IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• InChIKey: MQLRYUCJDNBWMV-GHXIOONMSA-N
• INCHI: 1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
• Isomere SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O
• Molekulargewicht: 397.43
• Reaxy-Rn: 1094658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1094658&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Lactams
      • Subclass Beta lactams
        • Ebene5 Cephems
          • Ebene6 Cephalosporins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems
• Direct Parent: Cephalosporins
• Alternative Parents: N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organopnictogen compounds Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Amino acid - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Dialkylthioether - Thioether - Hemithioaminal - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 397.400 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 397.051 Da
• Monoisotopic Mass: 397.051 Da
• Topological Polar Surface Area: 201.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 712.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1