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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_64355
http://purl.obolibrary.org/obo/CHEBI_64355
|
|---|---|
| Preferred Name | posaconazole |
| Synonyms |
Schering 56592
SCH56592
posaconazole
4-{4-[4-(4-{[(5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-1-[(2S,3S)-2-hydroxypentan-3-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one
Noxafil
Sch 56592
C37H42F2N8O4
2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | posaconazole
|
|---|---|
| label | posaconazole
|
| ATCCode | J02AC04
|
| Definition | An N-arylpiperazine that consists of piperazine carrying two 4-substituted phenyl groups at positions 1 and 4. A triazole antifungal agent.
|
| has effect |
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|
| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey |
InChIKey=RAGOYPUPXAKGKH-XAKZXMRKSA-N
InChIKey=RAGOYPUPXAKGKH-AGDNISCASA-N
|
| is metabolised by | |
| blocks | |
| Synonym | Schering 56592
SCH56592
posaconazole
4-{4-[4-(4-{[(5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-1-[(2S,3S)-2-hydroxypentan-3-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one
Noxafil
Sch 56592
C37H42F2N8O4
2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
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|
| xref |
National Drug Code Directory:0085-1328-01
Wikipedia:Posaconazole
CiteXplore:22058198
KEGG DRUG:D02555
CiteXplore:22330929
CiteXplore:22427614
CiteXplore:22286158
PubChem Substance:46508639
Patent:US5661151
CASRN:171228-49-2
DrugBank:DB01263
CiteXplore:21762211
CiteXplore:22303909
CiteXplore:22290952
CiteXplore:22324990
CiteXplore:22215361
RxList:http://www.rxlist.com/cgi/generic/noxafil.htm
Patent:WO9517407
CiteXplore:22215487
ChEMBL:434337
PharmGKB:PA151958574
Reaxys:8379448
CiteXplore:22391464
ChemSpider:130409
PubChem Compound:147912
CiteXplore:21967490
Wikipedia:http://en.wikipedia.org/wiki/Posaconazole
CiteXplore:22176629
CiteXplore:22391534
CiteXplore:22380765
Drugs.com:http://www.drugs.com/cdi/posaconazole-suspension.html
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|
| CASRN | 171228-49-2
|
| prefixIRI | obo2:CHEBI_64355
|
| SMILES | CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@@](C3)(Cn3cncn3)c3ccc(F)cc3F)cc2)c1=O
CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OCC2CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1
|
| DBname | posaconazole
|
| InChI | InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27?,35-,37-/m0/s1
InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1
|
| DBBrand | noxafil
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |