API0233134

Cocaine Hydrochloride

Cocaine Hydrochloride is a local anesthetic and vasoconstrictor.

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Pharm Gradet

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Molecular Weight (g/mol)

339.8
Molecular Formula

C17H22ClNO4
InChI

InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1
InChIKey

PIQVDUKEQYOJNR-VZXSFKIWSA-N
SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl
IUPAC Name

methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Exact Mass (Da)

339.1237359
Monoisotopic Mass (Da)

339.1237359

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