(Q72506116)

English

Raceanisodamine

group of stereoisomers with the chemical formula C₁₇H₂₃NO₄

Anisodamine
alpha-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
Tropic acid 6-hydroxy-3-tropanyl ester

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Statements

group of stereoisomers

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3-Bicyclo[3.2.1]octanyl 3-hydroxy-2-phenyl-propanoate

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based on heuristic

inferred from SMILES

305.162708216 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₃NO₄

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canonical SMILES

CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C(O)C2

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1C2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H](O)C2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12?,13-,14+,15-,16-/m0/s1

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WTQYWNWRJNXDEG-AQBKWJQSSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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