dolasetron
[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
Molecular Identity
dolasetron
[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
PubChem CID: 3033818
LSM-5418 is an indolyl carboxylic acid.
2D Structure
Properties
C19H20N2O3
Molecular Formula
324.40
Molecular Weight
g/mol
324.1474
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
62.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
535
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
dolasetron115956-12-21H-Indole-3-carboxylic acid, octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, stereoisomerMFCD00865542Anzemet Cinvrel-(5s,6R,8r,9aS)-3-Oxooctahydro-1H-2,6-methanoquinolizin-8-yl 1H-indole-3-carboxylateDOLASETRON [INN]82WI2L7Q6E1H-Indole-3-carboxylic acid, octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, stereoisomer; 1H-Indole-3-carboxylic acid, octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, (2a,6a,8a,9ass)-; 2,6-Methano-2H-quinolizine, 1H-indole-3-carboxylic acid deriv.; Anemet; Dolasetron; MDL 73147DOLASETRON [MI]DOLASETRON [HSDB]115956-13-3DOLASETRON [VANDF]DOLASETRON [WHO-DD]SCHEMBL42063
Data from PubChem (NCBI)
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