(Q27132828)

Tamoxifen N-oxide (English)

7 October 2016

chemical formula

C₂₆H₂₉NO₂

1 reference

Tamoxifen N-oxide (English)

7 October 2016

canonical SMILES

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCC[N+](C)(C)[O-])C3=CC=CC=C3

1 reference

Tamoxifen N-oxide (English)

7 October 2016

isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)[O-])/C3=CC=CC=C3

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Tamoxifen N-oxide (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-

1 reference

Tamoxifen N-oxide (English)

7 October 2016

2 references

Tamoxifen N-oxide (English)

7 October 2016

stated in

ChEBI release 2020-09-01

2 references

tamoxifen N-oxide (English)

7 October 2016

https://commonchemistry.cas.org/detail?cas_rn=75504-34-6

10 April 2021

1 reference

Tamoxifen N-oxide (English)

7 October 2016

2 references

Tamoxifen N-oxide (English)

7 October 2016

Reaxys registry number

8504138

1 reference

tamoxifen N-oxide (English)

7 October 2016

ChEBI ID

63825

mapping relation type

2 references

tamoxifen N-oxide (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-

1 reference

1 reference

Human Metabolome Database ID

HMDB0060513

2 references

based on heuristic

inferred from InChIKey

0 references

1 reference

tamoxifen N-oxide (English)