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Levofloxacin-d8 , CAS No.1217716-71-6
Basic Description
Synonyms
(-)-(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl-d8)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid Hemihydrate | AKOS030254446 | DTXSID20675991 | 1217716-71-6 | HY-B0330S | Levofloxacin-d8 | (2S)-7-fluoro-2-methyl-6-(2,2,3,3,
Specifications & Purity
≥98 atom% D,≥95%
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.
Product Description
Levofloxacin-d8 is a labelled S-(-)-Form of Ofloxacin. It is an antibiotic used against gram-negative organisms.
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 N-arylpiperazines Aminoquinolines and derivatives Hydroquinolones Haloquinolines Benzoxazines Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Alkyl aryl ethers N-methylpiperazines Aryl fluorides Benzenoids Vinylogous amides Heteroaromatic compounds Amino acids Trialkylamines Carboxylic acids Oxacyclic compounds Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Benzoxazine - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - 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
504770785
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770785
IUPAC Name
(2S)-7-fluoro-2-methyl-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
INCHI
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1/i3D2,4D2,5D2,6D2
InChIKey
GSDSWSVVBLHKDQ-FMBBTWBHSA-N
Smiles
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
Isomeric SMILES
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=C(C=C3C4=C2OC[C@@H](N4C=C(C3=O)C(=O)O)C)F)([2H])[2H])[2H]
Alternate CAS
100986-85-4（unlabelled）
Molecular Weight
369.42
Reaxy-Rn
3657947
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3657947&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in DMSO
Melt Point(°C)
222-224° C (Predicted)
Molecular Weight
369.400 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
2
Exact Mass
369.194 Da
Monoisotopic Mass
369.194 Da
Topological Polar Surface Area
73.300 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
634.000
Isotope Atom Count
8
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
Citations of This Product
1.
Junlie Zhou, Jianglin Kang, Chunyan Lin, Qi Xu, Wanrong Yang, Ke Fan, Jinrong Li.
(2024)
Antibiotics in Surface Sediments from the Anning River in Sichuan Province, China: Occurrence, Distribution, and Risk Assessment. Toxics,
12
(6):
(411).
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1 Citations
J2418732