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9’-Desmethyl Granisetron

CAT: 0572-TRC-D292040-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D292040-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160177-67-3
Synonyms
Granisetron Hydrochloride Imp. C (EP); N-[(1R,3r,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide; N-(3-endo)-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide; endo-N-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide; Granisetron Related Compound C; Granisetron Hydrochloride Impurity C; Granisetron Impurity C
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14
Molecular Formula
C17 H22 N4 O
Molecular Weight
298.38
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)/t11-,12+,13+
Additionnal Information
IUPAC name: N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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

CatalogName
CS-T-522449-Desmethyl Granisetron
ID21276-019'-Desmethyl granisetron
271661-019'-Desmethyl granisetron (granisetron impurity C)
RFA13601-019-Desmethyl endo-granisetron hydrochloride
ID21275-011-Desmethyl granisetron
sc-2061621-Desmethyl Granisetron (Granisetron Impurity B)
271618-011-Desmethyl 2-methyl granisetron (granisetron impurity A)
CS-T-522501-Desmethyl 2-Methyl Granisetron
CS-T-96025Granisetron-d3 (9-methyl-d3)
D3220-88L9’-Desmethyl Granisetron (endo-N- (9-Azabicyclo[3.3.1]non-3-yl) -1-methyl-1H-indazole-3-carboxamide, Granisetron Impurity C)

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