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MedKoo Cat#: 596753 | Name: Alalevonadifloxacin HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Alalevonadifloxacin HCl is a novel l-alanine ester prodrug of levonadifloxacin that is being developed as an oral fluoroquinolone antibiotic.

Chemical Structure

Alalevonadifloxacin HCl
Alalevonadifloxacin HCl
CAS#396132-82-4 (HCl)

Theoretical Analysis

MedKoo Cat#: 596753

Name: Alalevonadifloxacin HCl

CAS#: 396132-82-4 (HCl)

Chemical Formula: C22H27ClFN3O5

Exact Mass: 467.1623

Molecular Weight: 467.92

Elemental Analysis: C, 56.47; H, 5.82; Cl, 7.58; F, 4.06; N, 8.98; O, 17.10

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
396132-82-4 (HCl) 706809-20-3 (free base) 948895-94-1 ( mesylate salt)
Synonym
Alalevonadifloxacin hydrochloride;
IUPAC/Chemical Name
(S)-8-(4-((L-alanyl)oxy)piperidin-1-yl)-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid hydrochloride
InChi Key
XWWJPQYPMLTWRH-FXMYHANSSA-N
InChi Code
InChI=1S/C22H26FN3O5.ClH/c1-11-3-4-14-18-15(20(27)16(21(28)29)10-26(11)18)9-17(23)19(14)25-7-5-13(6-8-25)31-22(30)12(2)24;/h9-13H,3-8,24H2,1-2H3,(H,28,29);1H/t11-,12-;/m0./s1
SMILES Code
N[C@@H](C)C(OC1CCN(C2=C(F)C=C3C(C(C(O)=O)=CN4[C@@H](C)CCC2=C43)=O)CC1)=O.[H]Cl
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 467.92 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Rodvold KA, Gotfried MH, Chugh R, Gupta M, Yeole R, Patel A, Bhatia A. Intrapulmonary Pharmacokinetics of Levonadifloxacin following Oral Administration of Alalevonadifloxacin to Healthy Adult Subjects. Antimicrob Agents Chemother. 2018 Feb 23;62(3). pii: e02297-17. doi: 10.1128/AAC.02297-17. Print 2018 Mar. PubMed PMID: 29263070; PubMed Central PMCID: PMC5826115.