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Bottle of Ketotifen Fumarate liquid

Ketotifen Fumarate

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$27.99$29.99

Concentration
1 mg per mL
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This product is prepared for LABORATORY RESEARCH USE ONLY and may not be used for other purposes.

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Properties

Molecular Formula C23H23NO5S
Molecular Weight 425.5
Monoisotopic Mass 425.12969401
Polar Area 123
Complexity 595
Heavy Atom Count 30
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Physical Appearance Clear Liquid
Stability Room Temperature
PubChem LCSS Ketotifen Fumarate Laboratory Chemical Safety Summary

Identifiers

CID 5282408
CAS 34580-14-8
InChI InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5, 8, 11H, 6-7, 9-10, 12H2, 1H3;1-2H, (H, 5, 6)(H, 7, 8)/b;2-1+
InChIKey YNQQEYBLVYAWNX-WLHGVMLRSA-N
Isomeric SMILES CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=C/C(=O)O)\C(=O)O
Canonical SMILES CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O
IUPAC Name (E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03, 7]tetradeca-1(14), 3(7), 4, 10, 12-pentaen-8-one

2D Structure

Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed May 20, 2024)

Ketotifen Fumarate 2D molecular structure vector generated with oBabel

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