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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | clomiphene citrate | |
| Synonyms |
Clomifene citrate Clomiphene dihydrogen citrate 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_3753 |
|
| alternative term |
Clomifene citrate Clomiphene dihydrogen citrate 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
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| bearer of | ||
| charge |
0
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|
| database_cross_reference |
DrugBank:DB00882 KEGG:D00962 CAS:50-41-9 Beilstein:5223439
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|
| formula |
C32H36ClNO8 C26H28ClNO.C6H8O7
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| has part | ||
| has_exact_synonym |
2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
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|
| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
Clomifene citrate Clomiphene dihydrogen citrate
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|
| id |
CHEBI:3753
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|
| in_subset | ||
| inchi |
InChI=1S/C26H28ClNO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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| inchikey |
PYTMYKVIJXPNBD-UHFFFAOYSA-N
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|
| label |
clomiphene citrate
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|
| mass |
598.08288
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|
| monoisotopicmass |
597.21294
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|
| notation |
CHEBI:3753
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|
| overlaps | ||
| prefLabel |
clomiphene citrate
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| RO_0000087 | ||
| smiles |
[H+].[H+].[H+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CCN(CC)CCOc1ccc(cc1)C(c1ccccc1)=C(Cl)c1ccccc1
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| subClassOf |
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