Products 21030-50-2

CAS 21030-50-2 is the registry number for rac-Allopseudococaine Hydrochloride, >95% (HPLC). Offered by: TRC. Available pack sizes: 100mg.

rac-Allopseudococaine Hydrochloride, >95% (HPLC)
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl (1R,2S,3R,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride (CAS 21030-50-2) is a chemical compound with the molecular formula C17H22ClNO4 and a molecular weight of 339.8 g/mol. IUPAC name: methyl (1R,2S,3R,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride. InChIKey: PIQVDUKEQYOJNR-PEVLCXCCSA-N.

Identity
Molecular formulaC17H22ClNO4
Molecular weight339.8 g/mol
IUPAC namemethyl (1R,2S,3R,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
InChIKeyPIQVDUKEQYOJNR-PEVLCXCCSA-N
SMILESCN1[C@H]2CC[C@@H]1[C@@H]([C@@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl

Computed by PubChem (NCBI)

Synonyms: Allopseudococaine Hydrochloride, rac-Allopseudococaine Hydrochloride, Allopseudococaine Hydrochloride (1mg/ml in Acetonitrile), Allopseudococaine Hydrochloride (1 mg/ml in Acetonitrile)
Related forms of this compound
methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride C17H22ClNO4
methyl (1R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride C17H22ClNO4
methyl (1S,2S,3R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride C17H22ClNO4
methyl (1S,2R,3S,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride C17H22ClNO4
Isomers (same molecular formula)
(2R)-2-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid C17H22ClNO4
(2S,4R)-4-[(2-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid C17H22ClNO4
4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid C17H22ClNO4
ethyl 5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate C17H22ClNO4
(2S)-2-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid C17H22ClNO4
(2S,4R)-4-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid C17H22ClNO4
(2S,4R)-4-[(3-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid C17H22ClNO4
1-O-tert-butyl 3-O-methyl (3R,4S)-4-(4-chlorophenyl)pyrrolidine-1,3-dicarboxylate C17H22ClNO4