Granisetron
Properties
- Molecular formula
- C18H24N4O
- Molar mass
- 312.42 g/mol
- Exact mass
- 312.1950 Da
- logP
- 2.32Crippen 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
109889-09-0SMILES
CN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1nn(C)c3ccccc13)C2InChIKey
MFWNKCLOYSRHCJ-BTTYYORXNA-NInChI
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-Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-
- 1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo-
- 9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.
- 1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
- BRL 43694
- BRL 43964
- Kevatril
- endo-Granisetron
- Sustol
- APF 530
- Sancuso
Work with Granisetron
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.
Similar compounds
1-Methylindazole-3-carboxylic acid50890-83-045 % similar
(-)-Lobeline hydrochloride134-63-437 % similar
Lobeline sulfate134-64-535 % similar
1-Methyl-1H-indazole-3-carboxaldehyde4002-83-934 % similar
1-(4-Cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide1631074-54-833 % similar
Tropisetron89565-68-432 % similar
Tropisetron hydrochloride105826-92-431 % similar
(±)-Homatropine87-00-331 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds