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Granisetron hydrochloride

CAT: 0862-GP3615-250mgSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0862-GP3615-250mgSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107007-99-8
MDL Number
MFCD01747034
HS Code
2939800000
Purity
98.00%
Molecular Formula
C18H24N4O · HCl
Molecular Weight
348.87
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Brl 43694A

See also: Granisetron Hydrochloride (annotation moved to).

CAS Number107007-99-8
PubChem CID65264
IUPAC Name1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
Molecular FormulaC18H25ClN4O
Molecular Weight348.9
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity442
SMILES
CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl
InChI
InChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H
InChIKey
QYZRTBKYBJRGJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brl 43694A
CAS: 107007-99-8
CID: 65264
Formula: C18H25ClN4O
MW: 348.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass348.1716891
Monoisotopic Mass348.1716891
Topological Polar Surface Area50.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity442
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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