MDL-72222

cas: 40796-97-2 — see every product listed under this CAS number, including other names

MDL-72222 (CAS 40796-97-2) is a chemical reagent available from Chemat. Available pack sizes: 500mg. Offered by: TRC.

brandTRC
catalog numberTRC-M199805-500MG
cas40796-97-2
size500mg
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purityNo data
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Structural formula: {0} (CAS {1})

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate (CAS 40796-97-2) is a chemical compound with the molecular formula C15H17Cl2NO2 and a molecular weight of 314.2 g/mol. IUPAC name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate. InChIKey: MNJNPLVXBISNSX-PBWFPOADSA-N.

Identity
Molecular formulaC15H17Cl2NO2
Molecular weight314.2 g/mol
IUPAC name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate
InChIKeyMNJNPLVXBISNSX-PBWFPOADSA-N
SMILESCN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl

Computed by PubChem (NCBI)

Synonyms: Bemesetron (USAN/INN), BEMESETRON, 3-Tropanyl-3,5-dichlorobenzoate, Bemesetron (MDL 72222), [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate, 1alphaH,5alphaH-Tropan-3alpha-yl 3,5-dichlorobenzoate, Bemesetronum, Benzoic acid, 3,5-dichloro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-, Tropyl 3,5-dichlorobenzoate, mdl72222
Isomers (same molecular formula)
4-butoxy-6-chloro-3-(chloromethyl)-2-methylisoquinolin-1-one C15H17Cl2NO2
methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate C15H17Cl2NO2

Also listed as

Mdl 72222, 97%, 97% Chemat CAS 40796-97-2
MDL 72222 GLPBio CAS 40796-97-2
Bemesetron/ 97.37% (existing batch purity) TargetMol CAS 40796-97-2
MDL 72222 Biosynth CAS 40796-97-2
Bemesetron 99% Ambeed CAS 40796-97-2
Bemesetron, 99.83% MedChemExpress CAS 40796-97-2