6,8-Dimethoxy Moxifloxacin Hydrochloride - ≥95% , CAS No.1029364-73-5

CAS: 1029364-73-5 Cat. No.: D330544 Molecular Weight: 413.48（free basis） PubChem CID: 71463715

GRADE & PURITY ≥95%

Synonyms

6,8-Dimethoxymoxifloxacin | MOXIFLOXACIN HYDROCHLORIDE IMPURITY B [EP IMPURITY] | 6,8-Dimethoxy moxifloxacin | 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6,8-dimethoxy-4-oxoquinoline-3-carboxylic acid | F19521 | 1-Cy

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

6,8-Dimethoxy Moxifloxacin Hydrochloride is a Moxifloxacin impurity B.

Specifications

Synonyms

6, 8-Dimethoxymoxifloxacin | MOXIFLOXACIN HYDROCHLORIDE IMPURITY B [EP IMPURITY] | 6, 8-Dimethoxy moxifloxacin | 7-[(4aS, 7aS)-1, 2, 3, 4, 4a, 5, 7, 7a-octahydropyrrolo[3, 4-b]pyridin-6-yl]-1-cyclopropyl-6, 8-dimethoxy-4-oxoquinoline-3-carboxylic acid | F19521 | 1-Cy

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504772125
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772125
• Canonical Smiles: COC1=C(C(=C2C(=C1)C(=O)C(=CN2C3CC3)C(=O)O)OC)N4CC5CCCNC5C4
• IUPAC Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6,8-dimethoxy-4-oxoquinoline-3-carboxylic acid
• InChIKey: SPLQOJJBWRDKQP-BLLLJJGKSA-N
• INCHI: 1S/C22H27N3O5/c1-29-17-8-14-18(25(13-5-6-13)10-15(20(14)26)22(27)28)21(30-2)19(17)24-9-12-4-3-7-23-16(12)11-24/h8,10,12-13,16,23H,3-7,9,11H2,1-2H3,(H,27,28)/t12-,16+/m0/s1
• Isomeric SMILES: COC1=C(C(=C2C(=C1)C(=O)C(=CN2C3CC3)C(=O)O)OC)N4C[C@@H]5CCCN[C@@H]5C4
• PubChem CID: 71463715
• Molecular Weight: 413.48（free basis）

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Aminoquinolines and derivatives Hydroquinolones Hydroquinolines Pyrrolopyridines Pyridinecarboxylic acids Methoxyanilines Anisoles Dialkylarylamines Alkyl aryl ethers Piperidines Vinylogous amides Pyrrolidines Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylamines Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Aminoquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyrrolopyridine - Methoxyaniline - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Piperidine - Pyridine - Benzenoid - Vinylogous amide - Pyrrolidine - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Ether - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Methanol, Water
• Melt Point(°C): 172-176°C (lit.)
• Molecular Weight: 413.500 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 413.195 Da
• Monoisotopic Mass: 413.195 Da
• Topological Polar Surface Area: 91.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 738.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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