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Granisetron hydrochloride - 10mM in Water, high purity , CAS No.107007-99-8, Serotonin 3a (5-HT3a) receptor antagonist

COA

Grade & Purity:

10mM in Water

Cas Number: 107007-99-8
Molecular Weight: 348.87
PubChem CID: 65264

In stock

Item Number

G420511

Grouped product items
SKU	Size	Availability	Price	Qty
G420511-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$69.90

5-HT 3 antagonist

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Class A GPCR (4138) Compound libraries (12325)

Basic Description

Synonyms	Granisetron hydrochloride \| Granisetron HCl \| 107007-99-8 \| Granisetron (Hydrochloride) \| NSC-759839 \| 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride \| 1-METHYL-1H-INDAZOLE-3-CARBOXYLIC ACID (9-METHYL-9-AZA-BICYCLO[3.3.1]NON-3
Specifications & Purity	10mM in Water
Biochemical and Physiological Mechanisms	Granisetron hydrochloride is a serotonin 5-HT3 receptor antagonist and antiemetic.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	ANTAGONIST
Mechanism of action	Serotonin 3a (5-HT3a) receptor antagonist
Product Description	Granisetron (BRL 43694) is a serotonin 5-HT3 receptor antagonist used as an antiemetic to treat nausea and vomiting following chemotherapy.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazole-3-carboxamides
Alternative Parents	Pyrazole-5-carboxamides 2-heteroaryl carboxamides Piperidines Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indazole-3-carboxamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Piperidine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrochloride - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indazole-3-carboxamides. These are aromatic compounds containing an indazole ring system that is substituted at the 3-position with a carboxamide group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
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
Smiles	CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl
Isomeric SMILES	CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl
WGK Germany	3
RTECS	NK7882200
Molecular Weight	348.87
Reaxy-Rn	13597566
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13597566&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	284.0-290.0°C
Molecular Weight	348.900 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	348.172 Da
Monoisotopic Mass	348.172 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	442.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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