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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | clomiphene | |
| Synonyms |
2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine 2-(p-(beta-chloro-alpha-phenylstyryl)phenoxy)triethylamine 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)triethylamine Clomifene clomifene clomifeno clomifenum 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine Clomiphene |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3752 |
|
| alternative term |
2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine 2-(p-(beta-chloro-alpha-phenylstyryl)phenoxy)triethylamine 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)triethylamine Clomifene clomifene clomifeno clomifenum 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine Clomiphene
|
|
| bearer of | ||
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB00882 CAS:911-45-5 Drug_Central:700 KEGG:C06917 KEGG:D07726 Beilstein:2302126 LINCS:LSM-2072 Patent:US2914563
|
|
| formula |
C26H28ClNO
|
|
| has_exact_synonym |
2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine Clomiphene
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_parent_hydride | ||
| has_related_synonym |
2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine 2-(p-(beta-chloro-alpha-phenylstyryl)phenoxy)triethylamine 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)triethylamine Clomifene clomifene clomifeno clomifenum
|
|
| id |
CHEBI:3752
|
|
| in_subset | ||
| inchi |
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3
|
|
| inchikey |
GKIRPKYJQBWNGO-UHFFFAOYSA-N
|
|
| label |
clomiphene
|
|
| mass |
405.95936
|
|
| monoisotopicmass |
405.18594
|
|
| notation |
CHEBI:3752
|
|
| prefLabel |
clomiphene
|
|
| RO_0000087 | ||
| smiles |
CCN(CC)CCOc1ccc(cc1)C(c1ccccc1)=C(Cl)c1ccccc1
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| subClassOf |
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