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Ketotifen Fumarate

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SKU: EX1109-1MG Category:
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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
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

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