AG018Y4U

5189-11-7 | 4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine 2-hydroxysuccinate

AG018Y4U

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CAS Number	5189-11-7
Catalog Number	AG018Y4U(AGN-PC-0SBMPI)
Chemical Name	4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine 2-hydroxysuccinate
EC Number	225-970-4
IUPAC Name	2-hydroxybutanedioic acid;1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
InChI	InChI=1S/C19H21NS.C4H6O5/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-2(4(8)9)1-3(6)7/h2-5,10,13H,6-9,11-12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)
InChI Key	IWAWCPZVTXCFKD-UHFFFAOYSA-N
MDL Number	MFCD01700978
Molecular Formula	C23H27NO5S
Molecular Weight	429.5292
NSC Number	758899
SMILES	O=C(O)C(O)CC(O)=O.CN1CC/C(CC1)=C2C3=CC=CC=C3CCC4=C2C=CS4
Synonyms	Pizotifen malate, Pizotyline malate, 5189-11-7, Pizotifen (malate), Sanomtgran, Mosegor, Litec malate, Pizotifen hydrogen malate, Sandomigran malate, Sandomygran malate, BC 105 malate, C19H21NS.C4H6O5, CHEBI:50213, EINECS 225-970-4, Pizotifen maleate, Sandomigran (TN), 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine 2-hydroxysuccinate, Q-201591, Malic acid, compound with 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methylpiperidine (1:1), Piperidine, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methyl-, malate (1:1), SR-05000001896, Pizotifen-malate, litec; malic acid, Mosegor (TN), Sandomigran;pizotyline, AC1Q5VDI, Prestwick0_000992, Prestwick1_000992, Prestwick2_000992, Prestwick3_000992, AC1L52XC, BSPBio_001083, SCHEMBL365598, SPECTRUM1505003, SPBio_002974, BPBio1_001193, CHEMBL1592663, CTK1H0133, HY-B0115A, HMS1571G05, HMS2093G20, HMS2098G05, HMS3651C11, HMS3715G05, Pharmakon1600-01505003, 2661AH, MFCD01700978, NSC758899, s1394, AKOS015907762, CCG-213329, CS-1871, NSC-758899, Sandomigran, pizotyline, 5189-11-7, NCGC00096062-01, NCGC00096062-02, AK546737, AS-10171, AB2000084, LS-115014, SW197333-4, D08397, 189P117, I14-2724, SR-05000001896-1, SR-05000001896-3, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine 2-hydroxybutanedioate, 9,10-Dihydro-4-(1-methylpiperidin-4-ylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophene malate (1:1), Butanedioicacid, 2-hydroxy-, compd. with 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine(1:1), Piperidine, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methyl-,malate (1:1), Sandomigran, PIZOTYLINE, UNII-99O99YVR4C, 99O99YVR4C, BC-105, AR-1L3979, CID168993, 7467-12-1,

Complexity	535
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	429.161g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	429.531g/mol
Monoisotopic Mass	429.161g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number