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7-Hydroxygranisetron (hydrochloride)

CAT: 0804-HY-W702068Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W702068Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
7-Hydroxy-1-methyl-N- (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) -1H-indazole-3-carboxamide (Metabolite D) hydrochloride is a biological molecule.
CAS Number
133841-04-0
Product Name Alternative
Metabolite D (hydrochloride)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/7-hydroxygranisetron-hydrochloride.html
Purity
99.0
Smiles
CN([C@](CCC1)([H])C2)[C@@]1([H])C[C@@H]2NC(C(C3=CC=C4)=NN(C)C3=C4O)=O.Cl
Molecular Formula
C18H25ClN4O2
Molecular Weight
364.87
Precautions
H302, H315, H319, H335
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-Hydroxy Granisetron Hydrochloride
CAS Number133841-04-0
PubChem CID126456055
IUPAC Name7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
Molecular FormulaC18H25ClN4O2
Molecular Weight364.9
Topological Polar Surface Area70.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity474
SMILES
CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=C3C=CC=C4O)C.Cl
InChI
InChI=1S/C18H24N4O2.ClH/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16;/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24);1H/t11?,12-,13+;
InChIKey
MBSNWMLKHVHIJB-XCJHQLQTSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxy Granisetron Hydrochloride
CAS: 133841-04-0
CID: 126456055
Formula: C18H25ClN4O2
MW: 364.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass364.1666037
Monoisotopic Mass364.1666037
Topological Polar Surface Area70.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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