Ondansetron

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Systematic / IUPAC Name: 9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one

ID: Reference2485

Other Names: Zophren;
Zudan;
9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4(9H)-one;
Zuplenz;
9-Methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one ; more

Formula: C18H19N3O

Class: Therapeutics/Prescription Drugs

Spectral Data

Ondansetron mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/18/2015 2:46:30 PM
View Mass Spec Data > >

Identificators

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
InChI Key FELGMEQIXOGIFQ-UHFFFAOYSA-N
Canonical SMILES CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
CAS 99614025
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Other Names Zophren;
Zudan;
9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4(9H)-one;
Zuplenz;
9-Methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;
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;
9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one;
9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-4-one

In Other Databases

HMDb HMDB05035
PubChem 4595
DrugBank DB00904
Wikipedia Ondansetron
ChemSpider 4434
ChEMBL CHEMBL46
KEGG C07325; D00456
ChemIDPlus 099614025