Home > Compound List > Compound details
107007-99-8 molecular structure
click picture or here to close

1-methyl-N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-yl}-1H-indazole-3-carboxamide hydrochloride

ChemBase ID: 72630
Molecular Formular: C18H25ClN4O
Molecular Mass: 348.8703
Monoisotopic Mass: 348.17168912
SMILES and InChIs

SMILES:
c1c2c(ccc1)n(nc2C(=O)NC1CC2CCCC(C1)N2C)C.Cl
Canonical SMILES:
CN1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C.Cl
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
InChIKey:
QYZRTBKYBJRGJB-UHFFFAOYSA-N

Cite this record

CBID:72630 http://www.chembase.cn/molecule-72630.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-yl}-1H-indazole-3-carboxamide hydrochloride
IUPAC Traditional name
GRAN hydrochloride
granisetron hydrochloride
Synonyms
1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide Hydrochloride
BRL-43694A
1-METHYL-1H-INDAZOLE-3-CARBOXYLIC ACID (9-METHYL-9-AZA-BICYCLO[3.3.1]NON-3-YL)-AMIDE HYDROCHLORIDE
Kytril
Granisetron Hydrochloride
CAS Number
107007-99-8
PubChem SID
162037555
PubChem CID
65264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 65264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.750399  H Acceptors
H Donor LogD (pH = 5.5) -1.3230767 
LogD (pH = 7.4) 0.2712485  Log P 1.8768568 
Molar Refractivity 101.8257 cm3 Polarizability 35.897053 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
White to Off-White Sold expand Show data source
Melting Point
290-292°C expand Show data source
Storage Condition
-20°C expand Show data source
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Target
5-HT receptor expand Show data source
Purity
98% expand Show data source
Salt Data
Hydrochloride expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals TRC TRC
Selleck Chemicals - S1345 external link
Research Area: Neurological Disease
Biological Activity:
Granisetron HCl is a serotonin 5-HT3 receptor antagonist used as an antiemetic to treat nausea and vomiting following chemotherapy. Its main effect is to reduce the activity of the vagus nerve. It does not have much effect on vomiting due to motion sickness. This drug does not have any effect on dopamine receptors or muscarinic receptors. [1]
Toronto Research Chemicals - G780000 external link
A specific serotonin (5HT3) receptor antagonist. Used as an antiemetic. Granisetron HCl is a serotonin 5-HT3 receptor antagonist used as an antiemetic to treat nausea and vomiting following chemotherapy. Its main effect is to reduce the activity of the va

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • en.wikipedia.org/wiki/Granisetron_hydrochloride
  • • Kilpatrick, G.J., et al.: Nature, 330, 746 (1987)
  • • Durig, T., et al.: J. Pharm. Sci., 86, 1092 (1987)
  • • Yuasa, H., et al.: Chem. Pharm. Bull., 44, 1361 (1987)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle