Granisetron hydrochloride

C18H25ClN4OCAS 107007-99-8348.88 g/mol

Open in Covalent MOL file
NNHONNHCl
AmideTertiary amine

Properties

Molecular formula
C18H25ClN4O
Molar mass
348.88 g/mol
Exact mass
348.1717 Da
Melting point
290–292 °C
logP
2.74Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
R, S, rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
107007-99-8
SMILES
CN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1nn(C)c3ccccc13)C2.Cl
InChIKey
QYZRTBKYBJRGJB-WQTKJZBYNA-N
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-;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, hydrochloride (1:1)
  • 1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo-
  • 1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, monohydrochloride
  • 9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.
  • BRL 43694A
  • Kytril

Work with Granisetron hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Granisetron109889-09-0Free base

Similar compounds

1-Methylindazole-3-carboxylic acid50890-83-043 % similar (-)-Lobeline hydrochloride134-63-442 % similar Tropisetron hydrochloride105826-92-435 % similar Lobeline sulfate134-64-534 % similar Hyoscyamine hydrochloride5934-50-932 % similar 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride99614-70-732 % similar 1-Methyl-1H-indazole-3-carboxaldehyde4002-83-932 % similar endo-3-Amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride135906-03-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook