(Q82910091)

English

2-(5-Azido-2-nitrophenyl)-N-(3-hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-14-yl)ethanimidic acid

group of stereoisomers with the chemical formula C₂₅H₂₄N₆O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

504.17573248800005 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₄N₆O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(N=C(O)Cc2cc(N=[N+]=[N-])ccc2[N+](=O)[O-])C1C5

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1CCC23c4c5ccc(O)c4O[C@@H]2C(=O)CCC3(NC(=O)Cc2cc(N=[N+]=[N-])ccc2[N+](=O)[O-])C1C5

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H24N6O6/c1-30-9-8-24-21-13-2-5-17(32)22(21)37-23(24)18(33)6-7-25(24,19(30)11-13)27-20(34)12-14-10-15(28-29-26)3-4-16(14)31(35)36/h2-5,10,19,23,32H,6-9,11-12H2,1H3,(H,27,34)/t19?,23-,24?,25?/m1/s1

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InChIKey

VHOLXYXUAGCYKW-KOBQQOCZSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID401362889

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(Q82910091)

2-(5-Azido-2-nitrophenyl)-N-(3-hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-14-yl)ethanimidic acid

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