(Q82901937)

English

17-Amino-3,4-dimethoxy-17-methyl-6-oxomorphinan-17-ium chloride

group of stereoisomers with the chemical formula C₁₉H₂₇ClN₂O₃

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Statements

group of stereoisomers

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chemical compound

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366.171020404 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₇ClN₂O₃

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based on heuristic

inferred from SMILES

canonical SMILES

COc1ccc2c(c1OC)C13CC[N+](C)(N)C(C2)C1CCC(=O)C3.[Cl-]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1ccc2c(c1OC)[C@]13CC[N+](C)(N)[C@H](C2)[C@@H]1CCC(=O)C3.[Cl-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H27N2O3.ClH/c1-21(20)9-8-19-11-13(22)5-6-14(19)15(21)10-12-4-7-16(23-2)18(24-3)17(12)19;/h4,7,14-15H,5-6,8-11,20H2,1-3H3;1H/q+1;/p-1/t14-,15+,19-,21?;/m0./s1

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KBJFNRFRFWIYHR-NBABYFPXSA-M

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID001356107

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