loading...| Preferred Name |
posaconazole |
|
| Synonyms |
posaconazole 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 Schering 56592 SCH56592 Noxafil Sch 56592 |
|
| Definitions |
An N-arylpiperazine that consists of piperazine carrying two 4-substituted phenyl groups at positions 1 and 4. A triazole antifungal drug. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_64355 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22303909 Wikipedia:Posaconazole PMID:22427614 PMID:22286158 PMID:22215361 Patent:US5661151 KEGG:D02555 PMID:21967490 DrugBank:DB01263 PMID:21762211 PMID:22380765 PMID:22324990 Patent:WO9517407 PMID:22330929 PMID:22215487 PMID:22290952 PMID:22176629 Reaxys:8379448 PMID:22391464 Drug_Central:3483 CAS:171228-49-2 PMID:22391534 PMID:22058198 |
|
| definition |
An N-arylpiperazine that consists of piperazine carrying two 4-substituted phenyl groups at positions 1 and 4. A triazole antifungal drug. |
|
| formula |
C37H42F2N8O4 |
|
| has role | ||
| has_exact_synonym |
posaconazole 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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Schering 56592 SCH56592 posaconazole Noxafil Sch 56592 |
|
| id |
CHEBI:64355 |
|
| in_subset | ||
| 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 |
|
| inchikey |
RAGOYPUPXAKGKH-XAKZXMRKSA-N |
|
| label |
posaconazole |
|
| mass |
700.77740 |
|
| monoisotopicmass |
700.32971 |
|
| notation |
CHEBI:64355 |
|
| prefLabel |
posaconazole |
|
| smiles |
CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_26912 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_46848 http://purl.obolibrary.org/obo/CHEBI_87101 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26912 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_46848 http://purl.obolibrary.org/obo/CHEBI_87101 |