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+;/m1./s1

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

Systematic Name:

methyl (1S,2S,3R,5R)-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-KOVRDVONBL

Std. InChI:

Std. InChIKey:

PIQVDUKEQYOJNR-KOVRDVONSA-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

1alpha-H,5alpha-H-Tropane-2beta-carboxylic acid, 3beta-hydroxy-,

1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester), hydrochloride

1alphaH,5alphaH-Tropane-2beta-carboxylic acid, 3beta-hydroxy-, methyl ester, benzoate (ester), hydrochloride(8CI)

53-21-4 [RN]

8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, (1R-(exo,exo))-

8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester hydrochloride

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, (1R,2R,3S,5S)- (9CI)

Cocaine chloride

cocaine hydrochloride

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Database ID(s)

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

ACD/Labs Predicted Properties