(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate (Q105339773)

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chemical compound

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Language	Label	Description	Also known as
English	(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate	chemical compound

Statements

instance of

type of chemical entity

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subclass of

Tropacocaine

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based on heuristic

inferred from SMILES

mass

245.141578848 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₉NO₂

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canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C=3C=CC=CC3

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isomeric SMILES

CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2

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found in taxon

Erythroxylum cuneatum

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stated in

Alkaloids of Erythroxylum cuneatum, E. ecarinatum and E. australe

Erythroxylum ecarinatum

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stated in

Alkaloids of Erythroxylum cuneatum, E. ecarinatum and E. australe

Erythroxylum macrocarpum

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stated in

Alkaloids of erythroxylum macrocarpum and E. sideroxyloides

Erythroxylum mamacoca

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stated in

Alkaloids of some south american erythroxylum species

Erythroxylum sideroxyloides

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stated in

Alkaloids of erythroxylum macrocarpum and E. sideroxyloides

Erythroxylum ulei

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stated in

Alkaloids of some south american erythroxylum species

Peripentadenia mearsii

1 reference

stated in

New tropane alkaloids, (+)-(3R,6R)-3α-Acetoxy-6β-hydroxytropane and (+)-2α-Benzoyloxy-3β-hydroxynortropane, from Peripentadenia mearsii (Euphorbiaceae)

Identifiers

InChI

InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+

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InChIKey

XQJMXPAEFMWDOZ-WDNDVIMCSA-N

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CAS Registry Number

19145-60-9

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stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

DSSTox substance ID

DTXSID301315378

1 reference

matched by identifier from

InChIKey

InChIKey

XQJMXPAEFMWDOZ-WDNDVIMCSA-N

 

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