(Q27280992)

Methyldihydrocodeine (English)

(4R,4aR,7R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₅NO₃

1 reference

Methyldihydrocodeine (English)

14 October 2016

canonical SMILES

CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)OC

1 reference

Methyldihydrocodeine (English)

14 October 2016

isomeric SMILES

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)OC

1 reference

Methyldihydrocodeine (English)

InChI=1S/C19H25NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4,6,12-13,15,18H,5,7-10H2,1-3H3/t12-,13+,15-,18-,19-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Methyldihydrocodeine (English)

14 October 2016

1 reference

Global Substance Registration System

Methyldihydrocodeine (English)

14 October 2016

1 reference

UNII

J0I03TC85M

tetrahydrothebaine (English)

14 October 2016

1 reference

(5alpha,6alpha)-3,6-Dimethoxy-17-methyl-4,5-epoxymorphinan (English)

14 October 2016

2 references

Methyldihydrocodeine (English)

matched by identifier from

14 October 2016

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

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

J0I03TC85M

tetrahydrothebaine (English)

matched by identifier from

14 October 2016