IUPAC name
1-methyl-N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-yl}-1H-indazole-3-carboxamide
SMILES
CN1N=C(C(=O)NC2CC3CCCC(C2)N3C)C2=CC=CC=C12
Compound class
Serotonin Antagonists; Antiemetics; Alimentary Tract and Metabolism; Serotonin (5Ht3) Antagonists; Antiemetics and Antinauseants; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Antiemetics Antagonists;
Therapeutic area
For the prevention of nausea and vomiting associated with initial and repeat courses of emetogenic cancer therapy (including high dose cisplatin), postoperation, and radiation (including total body irradiation and daily fractionated abdominal radiation).
Common name
Granisetron
IUPAC name
1-methyl-N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-yl}-1H-indazole-3-carboxamide
SMILES
CN1N=C(C(=O)NC2CC3CCCC(C2)N3C)C2=CC=CC=C12
INCHI
InChI=1S/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)
FORMULA
C18H24N4O
Common name
Granisetron
IUPAC name
1-methyl-N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-yl}-1H-indazole-3-carboxamide
Molecular weight
312.409
clogP
1.451
clogS
-3.101
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
50.16
Number of Rings
4
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF01988 | N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]formamide |
|
N1(C2CC(CC1CCC2)NC=O)C | 0.0003 |
| FDBF01989 | 9-methyl-9-azabicyclo[3.3.1]nonane |
|
N1(C2CCCC1CCC2)C | 0.0003 |
| FDBF01990 | 1-methylindazole |
|
n1n(c2c(c1)cccc2)C | 0.0007 |
