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N-Demethyl Ondansetron

CAT: 1459-CS-T-15174Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-15174Size:1 Each
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Description
N-Demethyl Ondansetron is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Ondansetron. The product is supplied by Clearsynth under CAT No. CS-T-15174. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
A metabolite of Ondansetron
CAS Number
99614-14-9
Synonyms
N-Demethyl Ondansetron
Molecular Formula
C 17 H 17 N 3 O
Molecular Weight
279.34
Additionnal Information
N-Demethyl Ondansetron is supplied with detailed characterization data compliant with regulatory guideline. N-Demethyl Ondansetron can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Ondansetron.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
A metabolite of Ondansetron
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

3-[(2-Methylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
CAS Number99614-14-9
PubChem CID10891224
IUPAC Name3-[(2-methylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
Molecular FormulaC17H17N3O
Molecular Weight279.34
XLogP2.3
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity413
SMILES
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3
InChI
InChI=1S/C17H17N3O/c1-11-18-8-9-20(11)10-12-6-7-15-16(17(12)21)13-4-2-3-5-14(13)19-15/h2-5,8-9,12,19H,6-7,10H2,1H3
InChIKey
NTOYQHBABVCYMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(2-Methylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
CAS: 99614-14-9
CID: 10891224
Formula: C17H17N3O
MW: 279.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.34
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass279.137162174
Monoisotopic Mass279.137162174
Topological Polar Surface Area50.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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