AG003R69

34580-14-8 | 10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (E)-2-butenedioate (1:1)

AG003R69

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CAS Number	34580-14-8
Catalog Number	AG003R69(AGN-PC-0RA020)
Chemical Name	10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (E)-2-butenedioate (1:1)
EC Number	252-100-0
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+
InChI Key	YNQQEYBLVYAWNX-WLHGVMLRSA-N
MDL Number	MFCD00079394
Molecular Formula	C23H23NO5S
Molecular Weight	425.4974
NSC Number	757415
SMILES	O=C3c1c(ccs1)C(c2ccccc2C3)=C4CCN(C)CC4.O=C(O)C=CC(=O)O
UNII	HBD503WORO
Synonyms	4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo(4,5)-cyclohepta(1,2-b)thiophen-10-one, Fumarate, Ketotifen, Ketotifen, Ketotifen Fumarate, Ketotifene, Ketotiphen, Ketotiphene, Zaditen, KETOTIFEN FUMARATE, 34580-14-8, Zaditen, Zaditor, Ketotifen hydrogen fumarate, Alaway, Ketotifen (fumarate), UNII-HBD503WORO, HC 20,511 fumarate, Ketotifen fumarate (Zaditor), Ketotifen fumarate [USAN:JAN], Ketotifen fumarate salt, EINECS 252-100-0, HBD503WORO, MLS000069701, MFCD00079394, SMR000058462, 4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one fumarate (1:1), C23H23NO5S, 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, HC 20511 fumarate, SR-01000075951, HC-20511, Ketotifen fumerate, (E)-but-2-enedioic acid;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[2,4-b]thiophen-4-one, Prestwick_743, Zaditen (TN), fumaric acid; ketotifen, HC-20511 fumarate, ketotifen-fumarate-zaditor, Opera_ID_1952, butenedioic acid; ketotifen, SCHEMBL8809, SCHEMBL8810, CHEMBL1633, MLS000758236, MLS001148200, MLS001401421, SPECTRUM1500668, C19H21NOS.C4H4O4, HMS500F13, HY-B0157A, Ketotifen fumarate (JP17/USAN), REGID_for_CID_5282408, YNQQEYBLVYAWNX-WLHGVMLRSA-N, HMS1569K03, HMS1921A12, HMS2052O11, HMS2092G16, HMS2096K03, HMS2232K10, HMS2233C06, HMS3262M13, HMS3266D20, HMS3675J21, HMS3713K03, Pharmakon1600-01500668, BCP23414, Tox21_500706, AN-674, CCG-40319, NSC757415, s2024, AKOS008901371, AC-7589, BCP9000812, CCG-101110, CS-1988, KS-1206, LP00706, NC00360, NSC-757415, NCGC00094057-01, NCGC00094057-02, NCGC00094057-03, NCGC00094057-04, NCGC00094057-05, NCGC00261391-01, CPD000058462, H904, LS-33821, SAM001246984, SMR000653460, BCP0726000236, AB0013347, AB1009287, EU-0100706, FT-0082715, K0048, SW196887-4, D01332, K 2628, 580K148, J-019659, SR-01000075951-1, SR-01000075951-3, SR-01000075951-4, SR-01000075951-6, 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-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one, 4,9-Dihydro-4-(1-methyl-4-piperidinylidene-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one fumarate, 4-(1-Methyl-4-piperidylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one hydrogen fumarate, 4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one fumarate, ketotifen, null, Ketotifeno fumarato, C19H19NOS.C4H4O4, CID5282408, C19-H19-N-O-S.C4-H4-O4, B1562, 10H-benzo [4,5] ciclohepta [1,2-b tiofeno]-10-uno, 4,9-dihidro-4-(1-metil-4-piperidinilidene)-, (S)-2-butenedioate (1 : 1), 10H-benzo [4,5] ciclohepta [1,2-b]tiofeno-10-ona, 4,9-dihidro-4-(1-metil-4-piperidinilideno)-, (2E)-2-butenedioato (1 : 1), 10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (2E)-2-butenedioate (1:1), 10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (E)-2-butenedioate (1:1), 10H-Benzo[45]cyclohepta[12-b]thiophen-10-one49-dihydro-4-(1-methyl-4-piperidinylidene)-(E)-2-butenedioate (1:1), 10H-Benzo[45]cyclohepta[12-b]thiophen-10-one49-dihydro-4-(1-methyl-4-piperidinylidene)-(E)-2-butenedioate (11), 4,9-dihydro-4-(1-methylpiperidin-4-ylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophene-10-one fumarate, 4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, Ketotifen fumarate salt, 99%, a second-generation noncompetitive H1-antihistamine and mast cell stabilizer - 1G 1g,

Complexity	595
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	425.13g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	425.499g/mol
Monoisotopic Mass	425.13g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	123A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number