chempirical

Ondansetron hydrochloride dihydrate

C18H24ClN3O3CAS 103639-04-9365.86 g/mol

Open in Covalent MOL file
NNNOHClH2OH2O
Ketone

Properties

Molecular formula
C18H24ClN3O3
Molar mass
365.86 g/mol
Exact mass
365.1506 Da
logP
1.90Crippen estimate
Polar surface area
102.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
103639-04-9
SMILES
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O
InChIKey
VRSLTNZJOUZKLX-UHFFFAOYSA-N
InChI
InChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2

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

Names and synonyms

2 names
  • 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-, hydrochloride, hydrate (1:1:2)
  • 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-, monohydrochloride, dihydrate

Work with Ondansetron hydrochloride dihydrate

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

Ondansetron hydrochloride99614-01-495 % similar Ondansetron116002-70-189 % similar Ondansetron99614-02-589 % similar 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride99614-70-757 % similar Alosetron hydrochloride122852-69-138 % similar 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-138 % similar Ramosetron hydrochloride132907-72-335 % similar Alosetron122852-42-035 % similar

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

Elsewhere

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