(Q27105576)

6-Ethylmorphine (English)

Morphinan-3-ol, 7,8-didehydro-4,5-alpha-epoxy-6-beta-ethoxy-17-methyl-

5 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₃NO₃

1 reference

6-Ethylmorphine (English)

5 October 2016

canonical SMILES

CCOC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C

1 reference

6-Ethylmorphine (English)

5 October 2016

isomeric SMILES

CCO[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C

1 reference

6-Ethylmorphine (English)

InChI=1S/C19H23NO3/c1-3-22-15-7-5-12-13-10-11-4-6-14(21)17-16(11)19(12,18(15)23-17)8-9-20(13)2/h4-7,12-13,15,18,21H,3,8-10H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1

5 October 2016

Identifiers

InChI

1 reference

6-Ethylmorphine (English)

SWYNUDMXTNTERF-SSTWWWIQSA-N

5 October 2016

InChIKey

2 references

6-Ethylmorphine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

(5alpha,6alpha)-6-Ethoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-ol (English)

5 October 2016

2 references

6-Ethylmorphine (English)

matched by identifier from

5 October 2016

InChIKey

SWYNUDMXTNTERF-SSTWWWIQSA-N

ChEBI ID

2184

mapping relation type

2 references

6-Ethylmorphine (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H23NO3/c1-3-22-15-7-5-12-13-10-11-4-6-14(21)17-16(11)19(12,18(15)23-17)8-9-20(13)2/h4-7,12-13,15,18,21H,3,8-10H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1

1 reference

2 references

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

matched by identifier from

InChIKey

SWYNUDMXTNTERF-SSTWWWIQSA-N

DSSTOX compound identifier

0 references

1 reference

6-Ethylmorphine (English)