oxaquin - Moligand™ , CAS No.790704-50-6

CAS: 790704-50-6 Cat. No.: O612575 PubChem CID: 44201350

GRADE & PURITY Moligand™

Synonyms

GTPL10997 | AKOS040733939 | MNABRWLVTSGIMU-FQEVSTJZSA-N | 7-(4-((4-((5S)-5-(Acetamidomethyl)-2-oxo-oxazolidin-3-yl)-2-fluoro-phenoxy)methyl)-4-phosphonooxy-1-piperidyl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid | 7-[4-[[4-[(5S)-5-(acetamido

Storage

Room temperature

Specifications

Sinónimos

GTPL10997 | AKOS040733939 | MNABRWLVTSGIMU-FQEVSTJZSA-N | 7-(4-((4-((5S)-5-(Acetamidomethyl)-2-oxo-oxazolidin-3-yl)-2-fluoro-phenoxy)methyl)-4-phosphonooxy-1-piperidyl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid | 7-[4-[[4-[(5S)-5-(acetamido

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Nomes e identificadores

• Sorrisos canónicos: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)OCC3(CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)OP(=O)(O)O)F
• IUPAC Name: 7-[4-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-phosphonooxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• InChIKey: MNABRWLVTSGIMU-FQEVSTJZSA-N
• INCHI: 1S/C31H33F2N4O11P/c1-17(38)34-13-20-14-37(30(42)47-20)19-4-5-27(24(33)10-19)46-16-31(48-49(43,44)45)6-8-35(9-7-31)26-12-25-21(11-23(26)32)28(39)22(29(40)41)15-36(25)18-2-3-18/h4-5,10-12,15,18,20H,2-3,6-9,13-14,16H2,1H3,(H,34,38)(H,40,41)(H2,43,44,45)/t20-/m0/s1
• SMILES isoméricas: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OCC3(CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)OP(=O)(O)O)F
• CAS alternativo: 790704-50-6
• PubChem CID: 44201350

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Fluoroquinolones Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Phenoxy compounds Phenol ethers Alkyl aryl ethers Monoalkyl phosphates Fluorobenzenes Piperidines Aryl fluorides Oxazolidinones Carbamate esters Heteroaromatic compounds Vinylogous amides Acetamides Amino acids Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Monoalkyl phosphate - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic phosphoric acid derivative - Oxazolidinone - Phosphoric acid ester - Piperidine - Pyridine - Benzenoid - Alkyl phosphate - Oxazolidine - Carbamic acid ester - Vinylogous amide - Heteroaromatic compound - Acetamide - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Carboxylic acid - Organooxygen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

Propriedades químicas e físicas

• Peso molecular: 706.600 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 706.185 Da
• Monoisotopic Mass: 706.185 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 1390.000
• 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

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 790704-50-6. InChIKey MNABRWLVTSGIMU-FQEVSTJZSA-N.

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.