Molecular Identity
Alosetron
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
PubChem CID: 2099
Alosetron is a pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position. It has a role as a serotonergic antagonist, an antiemetic and a gastrointestinal drug. It is a member of imidazoles and a pyridoindole.
2D Structure
Properties
C17H18N4O
Molecular Formula
294.35
Molecular Weight
g/mol
294.1481
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
53.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
442
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3CIsomeric SMILES
SMILES: CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3CSynonyms(20)
alosetron122852-42-0GR68755GR 687555-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-oneA03AE01CHEBI:25334213Z9HTH1152,3,4,5-Tetrahydro-5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-1H-pyrido(4,3-b)indol-1-one1H-Pyrido(4,3-b)indol-1-one, 2,3,4,5-tetrahydro-5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-DTXSID60442785-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-1-onealosetron monohydrochloride2,3,4,5-Tetrahydro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrido[4,3-b]indol-1-onealosetronum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Alosetron
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