(Q76311084)

English

[(4R,4aR,5R,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-yl] acetate

chemical compound

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instance of

type of chemical entity

0 references

1 reference

341.16270821600006 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

Acetylpseudocodeine

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based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₃NO₄

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canonical SMILES

COc1ccc2c3c1OC1C=CC(OC(C)=O)C4C(C2)N(C)CCC314

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)O[C@@H]1C=C[C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)OC)O2)N(CC4)C

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Identifiers

InChI

InChI=1S/C20H23NO4/c1-11(22)24-14-6-7-16-20-8-9-21(2)13(18(14)20)10-12-4-5-15(23-3)19(25-16)17(12)20/h4-7,13-14,16,18H,8-10H2,1-3H3/t13-,14-,16+,18-,20-/m1/s1

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InChIKey

BYUOHQHEMAZVPI-WPOPLXQKSA-N

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matched by identifier from

InChIKey

BYUOHQHEMAZVPI-WPOPLXQKSA-N

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Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

BYUOHQHEMAZVPI-WPOPLXQKSA-N

DSSTOX compound identifier

DTXCID90135658

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(Q76311084)

[(4R,4aR,5R,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-yl] acetate

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