14-Phenylpropoxymetopon (Q4549585)

CHEMBL1672083 (English)

21 September 2016

chemical formula

C₂₇H₃₁NO₄

1 reference

CHEMBL1672083 (English)

21 September 2016

canonical SMILES

CC12C(=O)CCC3(C14CCN(C3CC5=C4C(=C(C=C5)O)O2)C)OCCCC6=CC=CC=C6

1 reference

CHEMBL1672083 (English)

21 September 2016

isomeric SMILES

C[C@]12C(=O)CC[C@@]3([C@]14CCN([C@@H]3CC5=C4C(=C(C=C5)O)O2)C)OCCCC6=CC=CC=C6

1 reference

CHEMBL1672083 (English)

InChI=1S/C27H31NO4/c1-25-22(30)12-13-27(31-16-6-9-18-7-4-3-5-8-18)21-17-19-10-11-20(29)24(32-25)23(19)26(25,27)14-15-28(21)2/h3-5,7-8,10-11,21,29H,6,9,12-17H2,1-2H3/t21-,25+,26+,27-/m1/s1

21 September 2016

Identifiers

InChI

1 reference

CHEMBL1672083 (English)

YLXOHYYZBORDAJ-NVSKSXHLSA-N

21 September 2016

InChIKey

1 reference

CHEMBL1672083 (English)

21 September 2016

1 reference

(5alpha)-3-Hydroxy-5,17-dimethyl-14-(3-phenylpropoxy)-4,5-epoxymorphinan-6-one (English)

21 September 2016

1 reference

CHEMBL1672083 (English)

21 September 2016

1 reference