(Q56085723)

English

(±)-ecgonidine

group of stereoisomers

8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid
(+/-)-anhydroecgonine
(+/-)-ecgonidine

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Statements

group of stereoisomers

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chemical compound

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167.094628656 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₉H₁₃NO₂

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based on heuristic

inferred from SMILES

canonical SMILES

CN1C2CCC1C(=CC2)C(=O)O

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isomeric SMILES

CN1[C@@H]2CC=C(C(=O)O)[C@H]1CC2

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based on heuristic

inferred from InChI

(−)-ecgonidine

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Identifiers

InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m1/s1

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HZGRVVUQEIBCMS-HTRCEHHLSA-N

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CAS Registry Number

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UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID801326922

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Probes And Drugs ID

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