Ramosetron hydrochlorideProduct ingredient forRamosetron

Name
Ramosetron hydrochloride
Drug Entry
Ramosetron

Ramosetron is aserotonin 5-HT3 receptor antagonistcommonly employed to treat nausea and vomiting, in addition to certain diarrheal conditions. It is believed to have higher potency and longer antiemetic action than other 1st generation 5-HT3 antagonists such as ondansetron. Currently, ramosetron is only approved for use Japan and in certain Southeast Asian countries.

Accession Number
DBSALT001285
Structure
Synonyms
Ramosetron HCl
UNII
9551LHD87E
CAS Number
132907-72-3
Weight
Average: 315.8
Monoisotopic: 315.1138399
Chemical Formula
C17H18ClN3O
InChI Key
XIXYTCLDXQRHJO-RFVHGSKJSA-N
InChI
InChI=1S/C17H17N3O.ClH/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14;/h2-5,9-11H,6-8H2,1H3,(H,18,19);1H/t11-;/m1./s1
IUPAC Name
(5R)-5-(1-methyl-1H-indole-3-carbonyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole hydrochloride
SMILES
Cl.CN1C=C(C(=O)[C@@H]2CCC3=C(C2)N=CN3)C2=C1C=CC=C2
KEGG Drug
D02016
ChemSpider
97111
ChEBI
32088
ChEMBL
CHEMBL3181841
Predicted Properties
Property Value Source
Water Solubility 0.0696 mg/mL ALOGPS
logP 2.22 ALOGPS
logP 2.24 Chemaxon
logS -3.6 ALOGPS
pKa (Strongest Acidic) 12.68 Chemaxon
pKa (Strongest Basic) 6.36 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 2 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 50.68 Å2 Chemaxon
Rotatable Bond Count 2 Chemaxon
Refractivity 82.14 m3·mol-1 Chemaxon
Polarizability 31.2 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