chempirical

Pizotifen malate

C23H27NO5SCAS 5189-11-7429.53 g/mol

Open in Covalent MOL file
NSOHOOHOOH
AlcoholAlkeneCarboxylic acidTertiary amine

Properties

Molecular formula
C23H27NO5S
Molar mass
429.53 g/mol
Exact mass
429.1610 Da
Melting point
185–186 °C (decomposes)
logP
3.28Crippen estimate
Polar surface area
98.1 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
3

Identifiers

CAS number
5189-11-7
SMILES
CN1CCC(=C2c3ccccc3CCc3sccc32)CC1.O=C(O)CC(O)C(=O)O
InChIKey
IWAWCPZVTXCFKD-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Butanedioic acid, 2-hydroxy-, compd. with 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine (1:1)
  • Malic acid, compd. with 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine (1:1)
  • Butanedioic acid, hydroxy-, compd. with 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine (1:1)
  • Malic acid, compd. with 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine
  • 4H-Benzo[4,5]cyclohepta[1,2-b]thiophene, 9,10-dihydro-4-(1-methyl-4-piperidylidene)-, malate (1:1)
  • Piperidine, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-, malate (1:1)
  • 4H-Benzo[4,5]cyclohepta[1,2-b]thiophene, piperidine deriv.
  • Piperidine, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-, hydroxybutanedioate (1:1)
  • Pizotifen hydrogen malate
  • 4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidinium hydrogen malate
  • Mosegor
  • Sanomigran
  • Sanmigran
  • Pizotyline malate

Work with Pizotifen malate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pizotifen15574-96-668 % similar Ketotifen34580-13-749 % similar Ketotifen fumarate34580-14-847 % similar Azatadine maleate3978-86-743 % similar Cyproheptadine129-03-338 % similar Alcaftadine147084-10-438 % similar Malic acid617-48-137 % similar D-Malic acid636-61-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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