Basic information
- CAS
109889-09-0- Standard SMILES
CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2- InChIKey
MFWNKCLOYSRHCJ-UHFFFAOYSA-N- Molecular formula
- C18H24N4O
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1950114
Overview
1-Methyl-N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-yl}-1H-indazole-3-carboxamide is a member of indazoles and an aromatic amide.
Names & identifiers
- Preferred name
- (3H)granisetron
- IUPAC
- 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide
- English name
- Granisetron
- Molecular formula
- C18H24N4O
- Molecular weight
- 312.41
Names & synonyms
[3H]GRANISETRON(3H)granisetron1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)nonan-7-yl)indazole-3-carboxamide1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamideRefChem:1050227109889-09-0exo-Granisetron (Granisetron Impurity F)1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamideGranisetron-d3Granisetronum [INN-Latin]1-Methyl-N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-yl}-1H-indazole-3-carboxamide124998-65-8
Show more names
BRL 43964GRANISETRONGRANESETRONGranisteronGramisetronGranisetron 99%Granisetron USP/EP/BPgranisetron(base,HCl)GRANISETRON(FREE BASE)
Granisetron baseBRL 43694107007-99-81-Methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide[3H]-granisetronLY-278584APF-530[3H]-BRL-43694
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Experimental & physicochemical properties
DrugsPharmaceuticals
LogP2.6
Solubility4.34e-01 g/L
Melting Point219 °C (hydrochloride salt)
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 532 · 532.0±40.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 25 ℃: · 25℃: DMSO
- form
- Powder
- pka
- 12.34 · 12.34±0.20(Predicted)
- color
- White to off-white
- InChI
- InChI=1/C18H24N4O/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)/t12-,13+,14-/i2D3
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
- hs_code
- 2933399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H412-H302-H319
- Precautionary statements
- P273-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesGranisetron is a selective 5HT-3 antagonist.
UsesAnti-emetic.
Upstream & downstream products
Downstream products
Suppliers101 total
北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宜昌天睿生物医药有限责任公司0717-6937098 13469840438 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
1 records
Compound notes
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