chempirical

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

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

Similar compounds

Granisetron109889-09-094 % 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-(4-Cyanobutyl)-N-(1-methyl-1-phenylethyl)-1H-indazole-3-carboxamide1631074-54-832 % similar Tropisetron89565-68-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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