(Q82955935)

English

Methanesulfonic acid--17-[(furan-3-yl)methyl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one (1/1)

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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463.13008776 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₅NO₈S

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based on heuristic

inferred from SMILES

canonical SMILES

CS(=O)(=O)O.O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3Cc2ccoc2)C1O5

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CS(=O)(=O)O.O=C1CCC2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3Cc2ccoc2)C1O5

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H21NO5.CH4O3S/c23-14-2-1-13-9-16-21(25)5-3-15(24)19-20(21,17(13)18(14)27-19)6-7-22(16)10-12-4-8-26-11-12;1-5(2,3)4/h1-2,4,8,11,16,19,23,25H,3,5-7,9-10H2;1H3,(H,2,3,4)/t16-,19?,20+,21?;/m0./s1

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HFBZNKNXTPYLIQ-WTJJAWGWSA-N

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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

DTXCID201399682

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