Lornoxicam-d4 - ≥95%,≥98 atom% , CAS No.1216527-48-8

CAS: 1216527-48-8 Cat. No.: L1243516 Summenformel: C₁₃H₆D₄ClN₃O₄S₂ Molekulargewicht: 375.84 PubChem CID: 71749841

QUALITÄT & REINHEIT ≥95%,≥98 atom%

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Spezifikationen & Reinheit

≥95%,≥98 atom%

Storage

Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥95%,≥98 atom%

Namen und Kennungen

Kanonisches Lächeln

CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3

IUPAC Name

6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-(3,4,5,6-tetradeuteriopyridin-2-yl)thieno[2,3-e]thiazine-3-carboxamide

InChIKey

WLHQHAUOOXYABV-QFFDRWTDSA-N

INCHI

1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)/i2D,3D,4D,5D

Isomere SMILES

[2H]C1=C(C(=NC(=C1[2H])NC(=O)C2=C(C3=C(C=C(S3)Cl)S(=O)(=O)N2C)O)[2H])[2H]

PubChem CID

71749841

Molekulargewicht

375.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thienothiazines 2,3,5-trisubstituted thiophenes N-arylamides 1,2-thiazines Aryl chlorides Imidolactams Organosulfonamides Pyridines and derivatives Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Thienothiazine - N-arylamide - 2,3,5-trisubstituted thiophene - Ortho-thiazine - Aryl chloride - Aryl halide - Pyridine - Organosulfonic acid amide - Imidolactam - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiophene - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 375.800 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 375.005 Da
• Monoisotopic Mass: 375.005 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 634.000
• Isotope Atom Count: 4
• Defined Atom Stereocenter Count: 0
• 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