2,3-Dihydro-7-methyl-9-phenyl-1H-pyrazolo(1,2-a)indazolium
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Basic information
- CAS
78299-79-3- Standard SMILES
Cc1ccc2c(c1)c(-c1ccccc1)[n+]1n2CCC1.O.[Br-]- InChIKey
QMEOEOBNKLHQJB-UHFFFAOYSA-M- Molecular formula
- C17H19BrN2O
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 346.06808
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,3-Dihydro-7-methyl-9-phenyl-1H-pyrazolo(1,2-a)indazolium
- IUPAC
- 7-methyl-5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium;bromide;hydrate
- English name
- 2,3-dihydro-7-methyl-9-phenyl-1H-pyrazolo(1,2-a)indazolium
- Molecular weight
- 0
Names & synonyms
78299-79-32,3-Dihydro-7-methyl-9-phenyl-1H-pyrazolo(1,2-a)indazolium1H-Pyrazolo(1,2-a)indazol-4-ium, 2,3-dihydro-7-methyl-9-phenyl-, bromideDMPPIBRefChem:817167-methyl-5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium;bromide;hydrateFKK7-Methyl-9-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium bromide2,3-Dihydro-7-methyl-9-phenyl-1H-pyrazolo(1,2-a)indazol-4-ium bromide hydrateDTXSID50999652DDA299791H-Pyrazolo(1,2-a)indazol-4-ium, 2,3-dihydro-7-methyl-9-phenyl-, bromide, hydrate
Show more names
DA-634577-Methyl-5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium bromide7-Methyl-9-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-10-ium bromide--water (1/1/1)
Database identifiers
- CAS
78299-79-3- PubChem CID
- 132844
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 9.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- Toxicity
- 50 oral · LD50 oral in rat: 1380mg/kg
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
- Toxicity
- LD50 oral in rat: 1380mg/kg
Chemistry & industry
Applications
UsesFKK is an indazole derivative and also a novel bronchodilator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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