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Dalasetron Mesylate Hydrate, 98%

Catalog Number
ACM878143330
CAS Number
878143-33-0
Product Name
Dalasetron Mesylate Hydrate, 98%
Category
Other Glass and Ceramic Materials
IUPAC Name
methanesulfonic acid;[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate;hydrate
Molecular Weight
438.5g/mol
Molecular Formula
C20H26N2O7S
Canonical SMILES
CS(=O)(=O)O.C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54.O
InChI
InChI=1S/C19H20N2O3.CH4O3S.H₂O/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4;/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4);1H2/t11?,12-,13+,14?;;
InChI Key
QTFFGPOXNNGTGZ-RCSCTSIBSA-N
Complexity
627
Covalently-Bonded Unit Count
3
EC Number
601-404-5
Exact Mass
438.146072g/mol
Formal Charge
0
Heavy Atom Count
30
MeSH Entry Terms
1H-indole-3-carboxylic acid, (6R,9AS)-octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, rel-, methanesulfonate, hydrate (1:1:1);1H-indole-3-carboxylic acid, octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, (2-alpha,6-alpha,8-alpha,9a-beta)-;1H-indole-3-carboxylic acid-trans-octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester methanesulfonate;Anzemet;dolasetron;dolasetron mesilate monohydrate;dolasetron mesylate;dolasetron mesylate monohydrate;indole-3-carboxylic acid, ester with (8R)-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one;MDL 73,147EF;MDL 73147EF;MDL-73147EF;octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl 1H-indole-3-carboxylate
Monoisotopic Mass
438.146072g/mol
Rotatable Bond Count
3
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