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9-Desmethyl Granisetron

CAT: 1459-CS-T-52244Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-52244Size:1 Each
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Description
9-Desmethyl Granisetron is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Granisetron. The product is supplied by Clearsynth under CAT No. CS-T-52244. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
An impurity in the synthesis of Granisetron Hydrochloride.
CAS Number
160177-67-3
Synonyms
9-Desmethyl Granisetron
Molecular Formula
C 17 H 22 N 4 O
Molecular Weight
298.4
Additionnal Information
9-Desmethyl Granisetron is supplied with detailed characterization data compliant with regulatory guideline. 9-Desmethyl Granisetron 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 Granisetron.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
An impurity in the synthesis of Granisetron Hydrochloride.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

9'-Desmethyl Granisetron (Granisetron Impurity C)
CAS Number160177-67-3
PubChem CID45038885
IUPAC NameN-(9-azabicyclo[3.3.1]nonan-3-yl)-1-methylindazole-3-carboxamide
Molecular FormulaC17H22N4O
Molecular Weight298.4
XLogP2.3
Topological Polar Surface Area59
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity417
SMILES
CN1C2=CC=CC=C2C(=N1)C(=O)NC3CC4CCCC(C3)N4
InChI
InChI=1S/C17H22N4O/c1-21-15-8-3-2-7-14(15)16(20-21)17(22)19-13-9-11-5-4-6-12(10-13)18-11/h2-3,7-8,11-13,18H,4-6,9-10H2,1H3,(H,19,22)
InChIKey
VIGVTDRZHFWDBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9'-Desmethyl Granisetron (Granisetron Impurity C)
CAS: 160177-67-3
CID: 45038885
Formula: C17H22N4O
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass298.17936134
Monoisotopic Mass298.17936134
Topological Polar Surface Area59 Ų
Heavy Atom Count22
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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