ibafloxacin - Moligand™ , CAS No.91618-36-9

CAS: 91618-36-9 Cat. No.: I610901 PubChem CID: 71186
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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
DXKRGNXUIRKXNR-UHFFFAOYSA-N | IBAFLOXACIN [USAN] | Devermin | 1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5,8-dimethyl-1-oxo- | Ibafloxacine | D04485 | Ibafloxacine [INN-French] | UNII-53VPK9R0T5 | GTPL10819 | Ibafloxacin | Ibafloxa
Storage
Room temperature
★
Size
Deutschland (EU)
USA*
Price
Qty
5mg
I610901-5mg
Auf Bestellung · 8–12 Wochen

991,74€

1.158,34€
Speichern 166,61 € (14.38%)
25mg
I610901-25mg
Auf Bestellung · 8–12 Wochen

1.488,09€

1.736,26€
Speichern 248,17 € (14.29%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
DXKRGNXUIRKXNR-UHFFFAOYSA-N | IBAFLOXACIN [USAN] | Devermin | 1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5,8-dimethyl-1-oxo- | Ibafloxacine | D04485 | Ibafloxacine [INN-French] | UNII-53VPK9R0T5 | GTPL10819 | Ibafloxacin | Ibafloxa
Spezifikationen & Reinheit
Moligand™
Storage
Room temperature
Note
Moligand™
Namen und Kennungen
Kanonisches LächelnCC1CCC2=C3N1C=C(C(=O)C3=CC(=C2C)F)C(=O)O
IUPAC Name7-fluoro-8,12-dimethyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
InChIKeyDXKRGNXUIRKXNR-UHFFFAOYSA-N
INCHI1S/C15H14FNO3/c1-7-3-4-9-8(2)12(16)5-10-13(9)17(7)6-11(14(10)18)15(19)20/h5-7H,3-4H2,1-2H3,(H,19,20)
Isomere SMILES CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2C)F)C(=O)O
Alternative CAS-Nummer 91618-36-9
PubChem CID 71186
MeSH-Eintrag 6,7-dihydro-5,8-dimethyl-9-fluoro-1-oxo-1H,5H-benzo(i,j)quinolizine-2-carboxylic acid;ibafloxacin;S 25930;S-25930

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseQuinolines and derivatives
SubclassQuinoline carboxylic acids
Intermediate Tree Nodes Not available
Direct ParentQuinoline carboxylic acids
Alternative Parents Fluoroquinolones  Haloquinolines  Hydroquinolones  Hydroquinolines  Pyridinecarboxylic acids  Aryl fluorides  Benzenoids  Heteroaromatic compounds  Vinylogous amides  Monocarboxylic acids and derivatives  Azacyclic compounds  Carboxylic acids  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinoline-3-carboxylic acid - Fluoroquinolone - Dihydroquinolone - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Vinylogous amide - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (nicht menschlich)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterobacter cloacae (7976 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus epidermidis (22802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bordetella pertussis (117 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Proteus mirabilis (3894 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Serratia marcescens (3237 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Haemophilus influenzae (8812 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Streptococcus pyogenes (16140 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht275.270 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass275.096 Da
Monoisotopic Mass275.096 Da
Topological Polar Surface Area57.600 Ų
Heavy Atom Count20
Formal Charge0
Complexity490.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
Bewertungen

Kundenbewertungen

Häufig gestellte Fragen

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.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 91618-36-9. InChIKey DXKRGNXUIRKXNR-UHFFFAOYSA-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.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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