Sanfetrinem Sodium , CAS No.141611-76-9

CAS: 141611-76-9 Cat. No.: S963026 Formula: C₁₄H₁₈NNaO₅ Peso molecolare: 303.290 Numero EC: 827-423-0

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Sorrisi canonici

C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)[O-])OC)O.[Na+]

IUPAC Name

sodium;(1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylate

InChIKey

YXEMRWDSRDEZLB-KOKFPPFCSA-M

INCHI

1S/C14H19NO5.Na/c1-6(16)9-11-7-4-3-5-8(20-2)10(7)12(14(18)19)15(11)13(9)17;/h6-9,11,16H,3-5H2,1-2H3,(H,18,19);/q;+1/p-1/t6-,7+,8+,9-,11-;/m1./s1

Peso molecolare

303.290

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactams
      • Subclass Beta lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbapenems
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Pyrroline carboxylic acids Azepines Tertiary carboxylic acid amides Secondary alcohols Azetidines Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organic zwitterions Organonitrogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Carbapenem - Alpha-amino acid or derivatives - Isoindole - Isoindole or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Tertiary carboxylic acid amide - Pyrroline - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Monocarboxylic acid or derivatives - Organic alkali metal salt - Azacycle - Ether - Alcohol - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carbapenems. These are beta-lactam derivatives in which the beta-lactam ring shares the nitrogen atom with a pyrrole-2-carboxylic acid.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 303.290 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 303.108 Da
• Monoisotopic Mass: 303.108 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 506.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 2

XLogP3

Domande frequenti

How should this product be stored?

Store at 2–8 °C, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 141611-76-9, the molecular formula is C14H18NNaO5, and the molecular weight is 303.290 g/mol. InChIKey YXEMRWDSRDEZLB-KOKFPPFCSA-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.