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: C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54Isomeric SMILES
SMILES: C1[C@@H]2CC(C[C@H]3N2CC(=O)C1C3)OC(=O)C4=CNC5=CC=CC=C54Synonyms(20)
dolasetron115956-12-2DOLASETRON [HSDB]DOLASETRON [VANDF]MDL-73147MFCD008655421H-Indole-3-carboxylic acid, octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, stereoisomerAKOS022184758AKOS037515834AS-74586D5820SR-05000001488Anzemet Cinv(5s,6R,8r,9aS)-3-Oxooctahydro-2H-2,6-methanoquinolizin-8-yl 1H-indole-3-carboxylaterel-(5s,6R,8r,9aS)-3-Oxooctahydro-1H-2,6-methanoquinolizin-8-yl 1H-indole-3-carboxylate
Data from PubChem (NCBI)
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