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The Drug-Drug Interactions Ontology
| Preferred Name | dutasteride | |
| Synonyms |
(1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-ene-14-carboxamide N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide (5alpha,17beta)-N-(2,5-bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide C27H30F6N2O2 alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxy-2',5'-xylidide |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_521033 |
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| AHFScode |
92:00.00
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| ATCCode |
G04CB02
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|
| binds |
http://purl.obolibrary.org/obo/dinto_3990 http://purl.obolibrary.org/obo/dinto_0507 |
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| CASRN |
164656-23-9
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|
| DBBrand |
avodart
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| DBname |
dutasteride
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| Definition |
Finasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland.
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|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0001327 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000921 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000476 http://purl.obolibrary.org/obo/OAE_0000767 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001139 http://purl.obolibrary.org/obo/OAE_0001205 |
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| has pharmacological target | ||
| has role | ||
| InChI |
InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1
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| InChIKey |
InChIKey=JWJOTENAMICLJG-QWBYCMEYSA-N
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|
| inhibits | ||
| is metabolised by | ||
| is substrate of | ||
| label |
dutasteride
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|
| prefixIRI |
obo2:CHEBI_521033
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|
| prefLabel |
dutasteride
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|
| SMILES |
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(=O)Nc5cc(ccc5C(F)(F)F)C(F)(F)F)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=CC(=O)N2
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| Synonym |
(1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-ene-14-carboxamide N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide (5alpha,17beta)-N-(2,5-bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide C27H30F6N2O2 alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxy-2',5'-xylidide
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|
| xref |
Drugs Product Database (DPD):2247813 DrugBank:DB01126 Patent:WO9507927 RxList:http://www.rxlist.com/cgi/generic3/duagen.htm National Drug Code Directory:0173-0712-15 Wikipedia:http://en.wikipedia.org/wiki/Dutasteride Drugs.com:http://www.drugs.com/cdi/dutasteride.html ChEBI:521033 CASRN:164656-23-9 PharmGKB:PA164749300 KEGG DRUG:D03820 Beilstein:7401530
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| subClassOf |
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