Preferred Name |
clomiphene |
|
Synonyms |
2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine Clomiphene 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 |
http://purl.obolibrary.org/obo/CHEBI_3752 |
|
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 |
|
subClassOf |