loading...| Preferred Name |
Tamoxifen |
|
| Synonyms |
2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine Tamoxifen CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1 trans-Tamoxifen tamoxifenum (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene InChI=1S/C26H29NO/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)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- InChIKey=NKANXQFJJICGDU-QPLCGJKRSA-N (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene Apo-Tamox C26H29NO Crisafeno Diemon tamoxifen tamoxifene tamoxifeno |
|
| Definitions |
A tertiary amino compound that has formula C26H29NO. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_41774 |
|
| charge |
0 |
|
| chemical has protein target |
http://purl.obolibrary.org/obo/PR_P62508 http://purl.obolibrary.org/obo/PR_P45983 |
|
| chemical has protein target as agonist | ||
| chemical has protein target as antagonist | ||
| chemical induces protein | ||
| chemical inhibits protein | ||
| database_cross_reference |
KEGG COMPOUND:C07108 PMID:14709804 Drug_Central:2561 ChemIDplus:10540-29-1 DrugBank:DB00675 Patent:US4536516 Patent:BE678807 PMID:14681337 KEGG:C07108 KEGG COMPOUND:10540-29-1 CAS:10540-29-1 PMID:18348622 Beilstein:2062020 Wikipedia:Tamoxifen PMID:7688593 KEGG:D08559 HMDB:HMDB0014813 Patent:BE637389 |
|
| definition source | ||
| formula |
C26H29NO |
|
| has exact synonym |
2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine Tamoxifen |
|
| has parent hydride | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50739 http://purl.obolibrary.org/obo/CHEBI_37700 http://purl.obolibrary.org/obo/CHEBI_50646 http://purl.obolibrary.org/obo/CHEBI_62872 http://purl.obolibrary.org/obo/CHEBI_50837 |
|
| has_alternative_id |
CHEBI:41767 CHEBI:9396 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1 trans-Tamoxifen tamoxifenum (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene InChI=1S/C26H29NO/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)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- InChIKey=NKANXQFJJICGDU-QPLCGJKRSA-N (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene Apo-Tamox C26H29NO Crisafeno Diemon tamoxifen tamoxifene tamoxifeno |
|
| has_RxCUI |
10324 |
|
| id |
CHEBI:41774 |
|
| imported from | ||
| in subset | ||
| inchi |
InChI=1S/C26H29NO/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)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- |
|
| inchikey |
NKANXQFJJICGDU-QPLCGJKRSA-N |
|
| is_bearer_of | ||
| label |
Tamoxifen tamoxifen |
|
| mass |
371.51460 |
|
| monoisotopicmass |
371.22491 |
|
| notation |
CHEBI:41774 |
|
| prefLabel |
Tamoxifen |
|
| smiles |
CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1 |
|
| textual definition |
A tertiary amino compound that has formula C26H29NO. |
|
| subClassOf |
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