Cefixime trihydrate - Moligand™,≥98% , CAS No.125110-14-7

CAS: 125110-14-7 Cat. No.: Y333700 分子式: C₁₆H₂₁N₅O₁₀S₂ 分子量: 507.5 EC番号: 635-033-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

CCG-208807 | CEFIXIME [USP MONOGRAPH] | CEFIXIME [VANDF] | CNV9DH4SXQ | (E)-cefixime trihydrate | Q27259597 | D07640 | DS-6675 | CEFIXIME [ORANGE BOOK] | Cefixime [USAN] | CEFIXIME TRIHYDRATE [WHO-DD] | CEFIXIME TRIHYDRATE [MI] | Cefixime (USP) | 2H-Benzi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

CCG-208807 | CEFIXIME [USP MONOGRAPH] | CEFIXIME [VANDF] | CNV9DH4SXQ | (E)-cefixime trihydrate | Q27259597 | D07640 | DS-6675 | CEFIXIME [ORANGE BOOK] | Cefixime [USAN] | CEFIXIME TRIHYDRATE [WHO-DD] | CEFIXIME TRIHYDRATE [MI] | Cefixime (USP) | 2H-Benzi

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

Cefixime trihydrate (FR-17027 trihydrate) is an antibiotic and a third generation cephalosporin antibiotic, useful for the treatment of a number of bacterial infections

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 504763892
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504763892
• カノニカル・スマイル: C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O.O.O.O
• IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;trihydrate
• InChIKey: IPYWNMVPZOAFOQ-NABDTECSSA-N
• INCHI: 1S/C16H15N5O7S2.3H2O/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7;;;/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27);3*1H2/b20-9-;;;/t10-,14-;;;/m1.../s1
• 異性体SMILES: C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O.O.O.O
• 代替CAS番号: 79350-37-1
• 分子量: 507.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Lactams
      • Subclass Beta lactams
        • Level5 Cephems
          • Level6 Cephalosporins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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 Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Primary amines Organic oxides Carbonyl compounds 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 - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Amino acid - Amino acid or derivatives - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Azacycle - Hemithioaminal - Thioether - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Air sensitive
• 分子量: 507.500 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 507.073 Da
• Monoisotopic Mass: 507.073 Da
• Topological Polar Surface Area: 241.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 861.000
• 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: 4

XLogP3