Ramosetron hydrochlorideProduct ingredient for Ramosetron

Name
Ramosetron hydrochloride
Drug Entry
Ramosetron

Ramosetron is a serotonin 5-HT3 receptor antagonist commonly 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
PropertyValueSource
Water Solubility0.0696 mg/mLALOGPS
logP2.22ALOGPS
logP2.24Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)12.68Chemaxon
pKa (Strongest Basic)6.36Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area50.68 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity82.14 m3·mol-1Chemaxon
Polarizability31.2 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon