Staphcillin - ≥95% , CAS No.7246-14-2

CAS: 7246-14-2 Cat. No.: S986523 Formule: C₁₇H₂₁N₂NaO₇S Poids moléculaire: 420.4 Numéro CE: 110-845-8 PubChem CID: 23678596

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Type d'action

INHIBITOR

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)[O-])C.O.[Na+]
• IUPAC Name: sodium;(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
• InChIKey: NRZPASQBOYNGHR-HWROMZCQSA-M
• INCHI: 1S/C17H20N2O6S.Na.H2O/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);;1H2/q;+1;/p-1/t11-,12+,15-;;/m1../s1
• Isomères SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)[O-])C.O.[Na+]
• CAS alternatif: 7246-14-2,132-92-3,61-32-5 (Parent)
• PubChem CID: 23678596
• Termes d'entrée MeSH: Dimethoxyphenyl Penicillin;Methicillin;Methicillin Hydrate, Monosodium Salt;Methicillin Monohydrate, Monosodium Salt;Methicillin Sodium;Meticillin;Metin;Penicillin, Dimethoxyphenyl;Staphcillin
• Poids moléculaire: 420.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Penicillins N-acyl-alpha amino acids and derivatives Dimethoxybenzenes Benzamides Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Thiazolidines Azetidines Carboxylic acid salts Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Thiohemiaminal derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Phenol ether - Penam - Phenoxy compound - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Thiazolidine - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid - Organic alkali metal salt - Organic salt - Organic oxygen compound - Carbonyl group - Organic sodium salt - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: hydrate

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

Propriétés chimiques et physiques

• Poids moléculaire: 420.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 420.097 Da
• Monoisotopic Mass: 420.097 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 606.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7246-14-2, the molecular formula is C17H21N2NaO7S, and the molecular weight is 420.4 g/mol. InChIKey NRZPASQBOYNGHR-HWROMZCQSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.