InChI=1/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

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Search term: PIQVDUKEQYOJNR-VZXSFKIWBM
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Inherent Properties, Identifiers and References

Systematic Name:

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

SMILES:

Cl.O=C(O[C@H]1C[C@H]2N(C)[C@@H]([C@H]1C(=O)OC)CC2)c3ccccc3

InChI:

InChIKey:

PIQVDUKEQYOJNR-VZXSFKIWBM

Std. InChI:

Std. InChIKey:

PIQVDUKEQYOJNR-VZXSFKIWSA-N

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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(-)-Cocaine hydrochloride

(1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester Hydrochloride

[1R-(exo,exo)]-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester Hydrochloride

3b-Hydroxy-1aH,5aH-tropane-2b-carboxylic Acid Methyl Ester Benzoate (Ester) Hydrochloride

53-21-4 [RN]

8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2R,3S,5S)-, hydrochloride (1:1)

Cocaine chloride

Cocaine HCl

Cocaine hydrochloride (JP15/USP)

Cocaine hydrochloride (TN)

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Database ID(s)

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ACD/Labs Predicted Properties

Spectra