(S)-Ketorolac - ≥98% , CAS No.66635-92-5

CAS: 66635-92-5 Cat. No.: K336997 Formula: C₁₅H₁₃NO₃ Peso molecolare: 255.27 Numero EC: 112-659-2

GRADE & PURITY ≥98%

Synonyms

HY-B0580A | DTXSID901317534 | SCHEMBL14892 | UNII-5H3TJ0A81K | Ketorolac, (S)- | (1S)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, (1S)- | 1H-Pyrrolizine-1-carboxylicacid, 5-benzoyl-2,3

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

il (S)-Ketorolac è l'enantiomero R del Ketorolac. L'enantiomero (S)- è circa 60 volte più potente dell'enantiomero (R)-. Inibitore della biosintesi delle prostaglandine. Analgesico e antinfiammatorio. il (S)-Ketorolac è un inibitore delle Cox-1 e Cox-2.

Specifications

Sinonimi

HY-B0580A | DTXSID901317534 | SCHEMBL14892 | UNII-5H3TJ0A81K | Ketorolac, (S)- | (1S)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, (1S)- | 1H-Pyrrolizine-1-carboxylicacid, 5-benzoyl-2,3

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528753426
• Sorrisi canonici: C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O
• IUPAC Name: (1S)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
• InChIKey: OZWKMVRBQXNZKK-NSHDSACASA-N
• INCHI: 1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m0/s1
• Isomeri SMILES: C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)[C@H]1C(=O)O
• Peso molecolare: 255.27
• Reaxy-Rn: 413572
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=413572&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: Pyrrolizines Benzoyl derivatives Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl-phenylketone - Benzoyl - Pyrrolizine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
• External Descriptors: 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

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

• Punto di fusione (°C): >145° C (dec.)
• Peso molecolare: 255.270 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.09 Da
• Monoisotopic Mass: 255.09 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 376.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1