Granisetron hydrochlorideProduct ingredient for Granisetron
- Name
- Granisetron hydrochloride
- Drug Entry
- Granisetron
A serotonin receptor (5HT-3 selective) antagonist that has been used as an antiemetic and antinauseant for cancer chemotherapy patients.
- Accession Number
- DBSALT000485
- Structure
Structure for Granisetron hydrochloride (DBSALT000485)
- Synonyms
- Granisetron (as hydrochloride) / Granisetron HCl
- External IDs
- BRL 43694A / BRL-43694A
- UNII
- 318F6L70J8
- CAS Number
- 107007-99-8
- Weight
- Average: 348.88
Monoisotopic: 348.1716891 - Chemical Formula
- C18H25ClN4O
- InChI Key
- QYZRTBKYBJRGJB-WQTKJZBYSA-N
- InChI
- InChI=1S/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-;
- IUPAC Name
- 1-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide hydrochloride
- SMILES
- Cl.[H][C@]12CCC[C@]([H])(C[C@@H](C1)NC(=O)C1=NN(C)C3=CC=CC=C13)N2C
- External Links
- PubChem Compound
- 65264
- ChemSpider
- 10482216
- ChEMBL
- CHEMBL1900758
- Wikipedia
- Granisetron
- Predicted Properties
Property Value Source Water Solubility 0.434 mg/mL ALOGPS logP 2.64 ALOGPS logP 1.88 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 14.75 Chemaxon pKa (Strongest Basic) 9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 50.16 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 101.83 m3·mol-1 Chemaxon Polarizability 35.15 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon