(Q82901197)

English

17-Methyl-6-[(5-nitropyridin-2-yl)disulfanyl]-4,5-epoxymorphinan-3-ol

group of stereoisomers with the chemical formula C₂₂H₂₃N₃O₄S₂

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Statements

group of stereoisomers

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chemical compound

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457.112998216 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₃N₃O₄S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1CCC23c4c5ccc(O)c4OC2C(SSc2ccc([N+](=O)[O-])cn2)CCC3C1C5

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1CCC23c4c5ccc(O)c4O[C@@H]2[C@H](SSc2ccc([N+](=O)[O-])cn2)CC[C@H]3[C@H]1C5

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C22H23N3O4S2/c1-24-9-8-22-14-4-6-17(30-31-18-7-3-13(11-23-18)25(27)28)21(22)29-20-16(26)5-2-12(19(20)22)10-15(14)24/h2-3,5,7,11,14-15,17,21,26H,4,6,8-10H2,1H3/t14-,15+,17+,21+,22?/m0/s1

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RAEKUJQUZFRYFZ-HVSMRNTNSA-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

DTXCID801355434

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