chempirical

Ondansetron hydrochloride

C18H20ClN3OCAS 99614-01-4329.83 g/mol

Open in Covalent MOL file
NNNOHCl
Ketone

Properties

Molecular formula
C18H20ClN3O
Molar mass
329.83 g/mol
Exact mass
329.1295 Da
Melting point
178.5–179.5 °C
logP
3.55Crippen estimate
Polar surface area
39.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
99614-01-4
SMILES
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl
InChIKey
MKBLHFILKIKSQM-UHFFFAOYSA-N
InChI
InChI=1S/C18H19N3O.ClH/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

Weigh it out

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

Names and synonyms

8 names
  • 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-, hydrochloride (1:1)
  • 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-, monohydrochloride
  • GR 38032F
  • SN 307
  • NSC 665799
  • 1,2,3,4-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-9H-carbazol-4-one hydrochloride
  • Osetron
  • Emeset

Work with Ondansetron hydrochloride

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 hydrochloride dihydrate103639-04-995 % similar Ondansetron116002-70-194 % similar Ondansetron99614-02-594 % similar 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride99614-70-760 % similar Alosetron hydrochloride122852-69-140 % similar 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-139 % similar Ramosetron hydrochloride132907-72-337 % similar Alosetron122852-42-036 % similar

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

Elsewhere

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