Ondansetron

C₁₈H₁₉N₃OCAS 99614-02-5293.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₉N₃O
Molar mass: 293.37 g/mol
Exact mass: 293.1528 Da
Melting point: 231–232 °C
logP: 3.13Crippen estimate
Polar surface area: 39.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

99614-02-5

SMILES

Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O

InChIKey

FELGMEQIXOGIFQ-UHFFFAOYSA-N

InChI

InChI=1S/C18H19N3O/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

Weigh it out

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

Names and synonyms

14 names · show all

4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-
1,2,3,9-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one
GR 38032
GR 38032X
Zofran
Zudan
Zophren
1,2,3,4-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-9H-carbazol-4-one
Ondanles
Setron
Yatrox
Bekinda
RHB 102
1,2,3,4-Tetrahydro-9-methyl-3-(2-methyl-1H-imidazol-1-ylmethyl)carbazol-4-one

Work with Ondansetron

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 hydrochloride99614-01-494 % similar Ondansetron hydrochloride dihydrate103639-04-989 % similar 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride99614-70-755 % similar 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-141 % similar 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-B]indol-1-one122852-75-938 % similar Alosetron122852-42-038 % similar Alosetron hydrochloride122852-69-136 % similar 1-Benzyl-2-methylimidazole13750-62-436 % similar

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

Same formula

Ondansetron116002-70-1

Elsewhere

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