chempirical

Azatadine maleate

C24H26N2O4CAS 3978-86-7406.48 g/mol

Open in Covalent MOL file
NNOHOOOH
AlkeneCarboxylic acidTertiary amine

Properties

Molecular formula
C24H26N2O4
Molar mass
406.48 g/mol
Exact mass
406.1893 Da
Melting point
152–154 °C
logP
3.42Crippen estimate
Polar surface area
90.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
3978-86-7
SMILES
CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1.O=C(O)/C=CC(=O)O
InChIKey
KGCJWSUJYBJBBW-BTJKTKAUSA-N
InChI
InChI=1S/C20H22N2.C4H4O4/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;5-3(6)1-2-4(7)8/h2-7,12H,8-11,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

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

Names and synonyms

13 names · show all
  • 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, (2Z)-2-butenedioate (1:2)
  • 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidylidene)-, maleate (1:2)
  • 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, (Z)-2-butenedioate (1:2)
  • 5-(4′-N-Methylpiperidylidene)-4-azo-10:11-dihydrodibenzocycloheptene dimaleate
  • Azatadine dimaleate
  • Sch 10649
  • Idulian
  • Optimine
  • Trinalin
  • Atoramin
  • Bonamid
  • Zadine
  • 11-(1-Methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine dimaleate

Work with Azatadine maleate

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

N-Methyldesloratadine38092-89-659 % similar Ketotifen fumarate34580-14-855 % similar Rupatadine fumarate182349-12-854 % similar Alcaftadine147084-10-448 % similar Dimethindene maleate3614-69-548 % similar Loratadine79794-75-547 % similar Pizotifen15574-96-647 % similar Pizotifen malate5189-11-743 % similar

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

Same formula

Carvedilol72956-09-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook