Compound Summary
Compound Information
KETOTIFEN FUMARATE
Compound Name: | KETOTIFEN FUMARATE |
Compound CID: | 5282408 |
Synonyms: | KETOTIFEN FUMARATE 34580-14-8 Zaditen Ketotifen hydrogen fumarate HC 20,511 fumarate More... |
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 |
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 |
Canonical Smiles: | CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=C/C(=O)O)\C(=O)O |
Molecular Weight: | 425.5 |
Molecular Formula: | C23H23NO5S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
KETOTIFEN FUMARATE
Molecular Weight: | 425.5 |
Molecular Formula: | C23H23NO5S |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 30 |
Complexity: | 595 |
Synonyms
KETOTIFEN FUMARATE
| KETOTIFEN FUMARATE | KETOTIFEN FUMARATE |
|---|---|
KETOTIFEN FUMARATE |
34580-14-8 |
Zaditen |
Ketotifen hydrogen fumarate |
HC 20,511 fumarate |
Ketotifen (fumarate) |
Ketotifen fumarate salt |
UNII-HBD503WORO |
Ketotifen fumarate (Zaditor) |
HBD503WORO |
MLS000069701 |
C23H23NO5S |
MFCD00079394 |
SMR000058462 |
Alaway |
4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo4,5cyclohepta1,2-bthiophen-10-one fumarate |
34580-14-8 (fumarate); 34580-13-7 (free base) |
(2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo8.4.0.0^{3,7}tetradeca-1(10),3(7),4,11,13-pentaen-8-one |
Ketotifen fumarate USAN:JAN |
SR-01000075951 |
EINECS 252-100-0 |
Ketotifen fumerate |
(E)-but-2-enedioic acid;10-(1-methylpiperidin-4-ylidene)-5H-benzo1,2cyclohepta2,4-bthiophen-4-one |
Prestwick_743 |
Zaditen (TN) |
HC-20511 fumarate |
Opera_ID_1952 |
SCHEMBL8809 |
SCHEMBL8810 |
CHEMBL1633 |
4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one fumarate (1:1) |
MLS000758236 |
MLS001148200 |
MLS001401421 |
SPECTRUM1500668 |
HMS500F13 |
HY-B0157A |
DTXSID30892970 |
Ketotifen fumarate (JP17/USAN) |
REGID_for_CID_5282408 |
HMS1569K03 |
HMS1921A12 |
HMS2052O11 |
HMS2092G16 |
HMS2096K03 |
HMS2232K10 |
HMS2233C06 |
HMS3262M13 |
HMS3266D20 |
HMS3411J21 |
HMS3675J21 |
HMS3713K03 |
HMS3884G20 |
Pharmakon1600-01500668 |
BCP23414 |
Tox21_500706 |
CCG-40319 |
NSC757415 |
s2024 |
AKOS008901371 |
AC-7589 |
BCP9000812 |
CCG-101110 |
CS-1988 |
KS-1206 |
LP00706 |
NC00360 |
NSC 757415 |
NSC-757415 |
NCGC00094057-01 |
NCGC00094057-02 |
NCGC00094057-03 |
NCGC00094057-04 |
NCGC00094057-05 |
NCGC00261391-01 |
10H-Benzo(4,5)cyclohepta(1,2-b)thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (E)-2-butenedioate (1:1) |
4,9-Dihydro-4-(1-methylpiperidin-4-ylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophene-10-one fumarate |
H904 |
SMR000653460 |
BCP0726000236 |
AB0013347 |
EU-0100706 |
K0048 |
SW196887-4 |
C74779 |
D01332 |
K 2628 |
580K148 |
J-019659 |
SR-01000075951-1 |
SR-01000075951-3 |
SR-01000075951-4 |
SR-01000075951-6 |
Q27279844 |
Ketotifen Hydrogen Fumarate 1.0 mg/ml in Methanol (as free base) |
Ketotifen hydrogen fumarate, European Pharmacopoeia (EP) Reference Standard |
Ketotifen for peak identification, European Pharmacopoeia (EP) Reference Standard |
(E)-but-2-enedioic acid,10-(1-methylpiperidin-4-ylidene)-5H-benzo1,2cyclohepta3,4-bthiophen-4-one |
(E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo8.4.0.03,7tetradeca-1(14),3(7),4,10,12-pentaen-8-one |
4,9-Dihydro-4-(1-methyl-4-piperidinylidene-10H-benzo4,5cyclohepta1,2-bthiophen-10-one fumarate |
4-(1-Methylpiperidin-4-ylidene)-4H-benzo4,5cyclohepta1,2-bthiophen-10(9H)-one fumarate |
Experimental Data
KETOTIFEN FUMARATE
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 1 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
KETOTIFEN FUMARATE
Statistics Data
KETOTIFEN FUMARATE
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1 | 1 | 1 |
Statistics Data Visualization
KETOTIFEN FUMARATE
