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Balofloxacin Dihydrate - 98%, high purity , CAS No.151060-21-8
Basic Description
Synonyms
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)-1-piperidinyl)-4-oxo-, dihydrate | Q-35 | N-Trimethylsilyl-dimethylamine | 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylami
Specifications & Purity
≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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
Fluoroquinolones Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Methoxyanilines Pyridinecarboxylic acids Anisoles Dialkylarylamines Aminopiperidines Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Vinylogous amides Amino acids Azacyclic compounds Carboxylic acids Dialkylamines Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - Haloquinoline - Aminoquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methoxyaniline - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 3-aminopiperidine - Alkyl aryl ether - Piperidine - Aryl fluoride - Benzenoid - Aryl halide - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Tertiary amine - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Azacycle - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organofluoride - Amine - Organohalogen compound - 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.
Names and Identifiers
Pubchem Sid
504764351
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764351
IUPAC Name
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid;dihydrate
INCHI
InChI=1S/C20H24FN3O4.2H2O/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27;;/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27);2*1H2
InChIKey
WEGNYJXOCPJAPS-UHFFFAOYSA-N
Smiles
CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.O.O
Isomeric SMILES
CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.O.O
RTECS
VB1993755
PubChem CID
6918202
Molecular Weight
425.45
Reaxy-Rn
8362117
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
135°C(lit.)
Molecular Weight
425.500 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
5
Exact Mass
425.196 Da
Monoisotopic Mass
425.196 Da
Topological Polar Surface Area
84.100 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
668.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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B2321547