ecenofloxacin - Moligand™ , CAS No.162301-05-5

CAS: 162301-05-5 Cat. No.: E610056 PubChem CID: 178066

GRADE & PURITY Moligand™

Synonyms

3613ZY362L | 7-((1R,5S,6S)-6-Amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid | CFC222 | 1,8-Naphthyridine-3-carboxylic acid, 7-((1R,5S,6S)-6-amino-1-methyl-3-azabicyclo(3.2.0)hept

Storage

Room temperature

Specifications

Synonyme

3613ZY362L | 7-((1R,5S,6S)-6-Amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid | CFC222 | 1,8-Naphthyridine-3-carboxylic acid, 7-((1R,5S,6S)-6-amino-1-methyl-3-azabicyclo(3.2.0)hept

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

• Kanonisches Lächeln: N[C@H]1C[C@@]2([C@H]1CN(C2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O)C
• IUPAC Name: 7-[(1R,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• InChIKey: WNVIWAUAXKEKKF-PJFSTRORSA-N
• INCHI: 1S/C19H21FN4O3/c1-19-5-14(21)12(19)7-23(8-19)17-13(20)4-10-15(25)11(18(26)27)6-24(9-2-3-9)16(10)22-17/h4,6,9,12,14H,2-3,5,7-8,21H2,1H3,(H,26,27)/t12-,14-,19-/m0/s1
• Isomere SMILES: C[C@@]12C[C@@H]([C@@H]1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F)N
• PubChem CID: 178066

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridine carboxylic acids and derivatives
• Alternative Parents: Fluoroquinolones Pyridinecarboxylic acids Dialkylarylamines Aminopyridines and derivatives Azepanes Aryl fluorides Imidolactams Vinylogous amides Pyrrolidines Heteroaromatic compounds Amino acids Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine carboxylic acid - Fluoroquinolone - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Dialkylarylamine - Aminopyridine - Azepane - Aryl fluoride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Primary amine - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.
• 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: 372.400 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 372.16 Da
• Monoisotopic Mass: 372.16 Da
• Topological Polar Surface Area: 99.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 726.000
• 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: 1

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is 162301-05-5. InChIKey WNVIWAUAXKEKKF-PJFSTRORSA-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.