Basic information
- CAS
107007-99-8- Standard SMILES
CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl- InChIKey
QYZRTBKYBJRGJB-UHFFFAOYSA-N- Molecular formula
- C18H25ClN4O
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.1716891
Overview
See also: Granisetron Hydrochloride (annotation moved to).
Names & identifiers
- Preferred name
- Brl 43694A
- IUPAC
- 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
- English name
- Granisetron Hydrochloride
- Molecular formula
- C18H24N4O.ClH
- Molecular weight
- 348.87
Names & synonyms
BRL 43694ABRL-43694ARefChem:917581Granisetron HClGranisetron hydrochloride107007-99-8Bema granisetronGranistron hydrochlorideGranisetron Impurity C57Granisetron (Hydrochloride)C18H25ClN4OGranisetron (as hydrochloride)
Show more names
KYTRILGranisetron hydrocholride1-Methyl-N-[(1β,3α,5β)-9-methyl-9-azabicyclo[3.3.1]nonane-3-yl]-1H-indazole-3-carboxamide·hydrochlorideKitrylGransetron HClGranisetronBasemidehydrochloride
Pharmakon1600-01502365s13451-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochlorideNSC-7598391-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide hydrochloride1044956-47-91-Methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-1H-indazole-3-carboxamide hydrochloride1-Methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide hydrochloride
Database identifiers
- CAS
107007-99-8
Properties
Computed structural properties
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Melting point
- 290 · 290-292°C
- storage temp.
- Room temp
- solubility
- 2 O: · H2O: >10mg/mL
- form
- solid
- color
- white to off-white
- Merck
- 14 · 14,4536
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1/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/t12-,13+,14-;
- InChIKey
- QYZRTBKYBJRGJB-WQTKJZBYNA-N
- SMILES
- C12C=CC=CC=1N(C)N=C2C(=O)N[C@@H]1C[C@@]2([H])N(C)[C@]([H])(CCC2)C1.Cl |&1:13,15,19,r|
- CAS DataBase Reference
- 107007 · 107007-99-8(CAS DataBase Reference)
- NCI Dictionary of Cancer Terms
- granisetron hydrochloride
- FDA UNII
- 318 F6L70J8 · 318F6L70J8
- NCI Drug Dictionary
- granisetron hydrochloride
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- NK7882200
- hs_code
- 29399990
- risk_code
- 22-62-37/38-36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to prevent NAUSEA or VOMITING.
Drugs that bind to but do not activate SEROTONIN 5-HT3 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT3 RECEPTOR AGONISTS.
Applications
UsesIt is the selective antagonist of the 5-serotonin 3 (5-HT3) in peripheral and central nervous system.
DescriptionGranisetron hydrochloride is the second selective 5HT-3-antagonist approved for the management of nausea and vomiting induced by cancer chemotherapy.Like ondansetron, granisetron hydrochloride is superior to metoclopramide in both efficacy and side effect profile. The compound appears to be effective both as a prophylactic agent and in blocking vomiting once started.
Usesanticoagulant
UsesA specific serotonin (5HT3) receptor antagonist. Used as an antiemetic. Granisetron HCl is a serotonin 5-HT3 receptor antagonist used as an antiemetic to treat nausea and vomiting following chemothera py. Its main effect is to reduce the activity of the vagus nerve. It does not have much effect on vomiting due to motion sickness. This drug does not have any effect on dopamine receptors or muscarini c receptor
UsesThese Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.
General DescriptionPharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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