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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol | |
| Synonyms |
halofantrine hydrochloride halofantrine HCl halfan |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_94392 |
|
| charge |
0
|
|
| database_cross_reference |
HMDB:HMDB0015349 CAS:69756-53-2 Drug_Central:1350 LINCS:LSM-5072
|
|
| formula |
C26H30Cl2F3NO
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
halofantrine hydrochloride halofantrine HCl halfan
|
|
| id |
CHEBI:94392
|
|
| in_subset | ||
| inchi |
InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3
|
|
| inchikey |
FOHHNHSLJDZUGQ-UHFFFAOYSA-N
|
|
| label |
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol
|
|
| mass |
500.425
|
|
| monoisotopicmass |
499.16565
|
|
| notation |
CHEBI:94392
|
|
| prefLabel |
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol
|
|
| smiles |
CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
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| treeView | ||
| subClassOf |
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| Mapping To | Ontology | Source |
|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_94392 | FIDEO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_94392 | BERO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_94392 | BERO | LOOM |