alpha-Hydroxy-N-desmethyltamoxifen (Q26998327)

alpha-Hydroxy-N-desmethyltamoxifen (English)

8 October 2016

chemical formula

C₂₅H₂₇NO₂

1 reference

alpha-Hydroxy-N-desmethyltamoxifen (English)

8 October 2016

canonical SMILES

CC(C(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3)O

1 reference

alpha-Hydroxy-N-desmethyltamoxifen (English)

8 October 2016

isomeric SMILES

CC(/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3)O

1 reference

http://identifiers.org/wikipathways/WP691_r85084

alpha-Hydroxy-N-desmethyltamoxifen (English)

8 October 2016

1 reference

24 September 2016

Identifiers

InChI

InChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-

1 reference

alpha-Hydroxy-N-desmethyltamoxifen (English)

8 October 2016

2 references

alpha-Hydroxy-N-desmethyltamoxifen (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3E)-4-{4-[2-(Methylamino)ethoxy]phenyl}-3,4-diphenyl-3-buten-2-ol (English)

8 October 2016

2 references

alpha-Hydroxy-N-desmethyltamoxifen (English)

8 October 2016

ChEBI ID

80557

mapping relation type

2 references

alpha-Hydroxy-N-desmethyltamoxifen (English)

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-

1 reference

1 reference

Human Metabolome Database ID

HMDB0060668

2 references

based on heuristic

inferred from InChIKey

1 reference

alpha-Hydroxy-N-desmethyltamoxifen (English)