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The Drug Ontology
Last uploaded:
November 15, 2024
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| Preferred Name | dicoumarol | |
| Synonyms |
3,3'-methylenebis(4-hydroxy-2H-1-benzopyran-2-one) bis-3,3'-(4-hydroxycoumarinyl)methane 3,3'-methylen-bis(4-hydroxy-cumarin) 3,3'-methylene-bis(4-hydroxycoumarine) dicoumarolum 3,3'-methylenebis(4-hydroxy-1,2-benzopyrone) di-(4-hydroxy-3-coumarinyl)methane 3,3'-methylenebis(4-hydroxycoumarin) bis(4-hydroxycoumarin-3-yl)methane bis-hydroxycoumarin Dicumarol dicoumarol dicumarol 3,3'-methanediylbis(4-hydroxy-2H-chromen-2-one) Dicoumarol |
|
| Definitions |
A hydroxycoumarin that is methane in which two hydrogens have each been substituted by a 4-hydroxycoumarin-3-yl group. Related to warfarin, it has been used as an anticoagulant. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4513 |
|
| alternative label |
3,3'-methylenebis(4-hydroxy-2H-1-benzopyran-2-one) bis-3,3'-(4-hydroxycoumarinyl)methane 3,3'-methylen-bis(4-hydroxy-cumarin) 3,3'-methylene-bis(4-hydroxycoumarine) dicoumarolum 3,3'-methylenebis(4-hydroxy-1,2-benzopyrone) di-(4-hydroxy-3-coumarinyl)methane 3,3'-methylenebis(4-hydroxycoumarin) bis(4-hydroxycoumarin-3-yl)methane bis-hydroxycoumarin Dicumarol dicoumarol dicumarol 3,3'-methanediylbis(4-hydroxy-2H-chromen-2-one) Dicoumarol
|
|
| charge |
0
|
|
| database_cross_reference |
KNApSAcK:C00002467 PMID:16700548 DrugBank:DB00266 PMID:20480521 Beilstein:335444 PMID:15639223 KEGG:C00796 Wikipedia:Dicumarol Drug_Central:867 PMID:6033758 PMID:18347135 PMID:19583730 KEGG:D03798 PMID:28166217 CAS:66-76-2 LINCS:LSM-5884
|
|
| definition |
A hydroxycoumarin that is methane in which two hydrogens have each been substituted by a 4-hydroxycoumarin-3-yl group. Related to warfarin, it has been used as an anticoagulant.
|
|
| formula |
C19H12O6
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50249 http://purl.obolibrary.org/obo/CHEBI_55347 |
|
| has_alternative_id |
CHEBI:469386
|
|
| has_exact_synonym |
3,3'-methanediylbis(4-hydroxy-2H-chromen-2-one) Dicoumarol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
3,3'-methylenebis(4-hydroxy-2H-1-benzopyran-2-one) bis-3,3'-(4-hydroxycoumarinyl)methane 3,3'-methylen-bis(4-hydroxy-cumarin) 3,3'-methylene-bis(4-hydroxycoumarine) dicoumarolum 3,3'-methylenebis(4-hydroxy-1,2-benzopyrone) di-(4-hydroxy-3-coumarinyl)methane 3,3'-methylenebis(4-hydroxycoumarin) bis(4-hydroxycoumarin-3-yl)methane bis-hydroxycoumarin Dicumarol dicoumarol dicumarol
|
|
| has_RxCUI |
1598
|
|
| id |
CHEBI:4513
|
|
| in_subset | ||
| inchi |
InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
|
|
| inchikey |
DOBMPNYZJYQDGZ-UHFFFAOYSA-N
|
|
| label |
dicoumarol
|
|
| mass |
336.29500
|
|
| monoisotopicmass |
336.06339
|
|
| notation |
CHEBI:4513
|
|
| prefLabel |
dicoumarol
|
|
| smiles |
Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
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|
| subClassOf |
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