(Q82124331)

English

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

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from InChIKey

303.147058152 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Pseudoallococaine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₁NO₄

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canonical SMILES

COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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Identifiers

InChI=1S/C17H21NO4/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/t12-,13+,14-,15-/m1/s1

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ZPUCINDJVBIVPJ-LXTVHRRPSA-N

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CAS Registry Number

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1 reference

matched by identifier from

ZPUCINDJVBIVPJ-LXTVHRRPSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

ZPUCINDJVBIVPJ-LXTVHRRPSA-N

DSSTOX compound identifier

0 references

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