Details of the Active Pharmaceutical Ingredient (API)
General Information of API (ID: D00542) | |||||
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Name |
Posaconazole
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Synonyms |
Click to Show/Hide the Synonyms of This API
Posaconazole; 171228-49-2; Noxafil; Sch 56592; SCH56592; Posaconazole SP; SCH-56592; Schering 56592; UNII-6TK1G07BHZ; 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one; 6TK1G07BHZ; CHEMBL1397; 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-1-((2S,3S)-2-HYDROXYPENTAN-3-YL)-1H-1,2,4-TRIAZOL-5(4H)-ONE; CHEBI:64355; 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; pasaconazole; Posaconazole [USAN:INN:BAN]; HSDB 7421; C37H42F2N8O4; 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1S,2S)-1-ethyl-2-hydroxy-propyl]-1,2,4-triazol-3-one; Noxafil (TN); Posaconazole solution; cc-165; SCHEMBL991747; Posaconazole (JAN/USAN/INN); DTXSID6049066; GTPL11428; BCP01102; ZINC3938482; BDBM50181473; CP0094; MFCD00941162; MMV688774; AKOS005145917; AC-1350; ACN-040495; CCG-270387; CS-0998; DB01263; KS-1413; PB30668; NCGC00274060-02; HY-17373; Posaconazole in combination with MGCD290; AB0015409; SW219391-1; D02555; P-7020; Q-4359; AB01274762-01; AB01274762_02; Posaconazole, VETRANAL(TM), analytical standard; 228P492; Q906453; Posaconazole, Antibiotic for Culture Media Use Only; Posaconazole solution, 2.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 1-((1S,2S)-1-Ethyl-2-hydroxypropyl)-4-{4-[4-(4-{[(5S,3R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazolylmethyl)oxolan-3-yl]methoxy}phenyl)piperazinyl]phenyl}-1,2,4-triazolin-5-one; 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-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; 3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-((5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furanyl)methoxy)phenyl)-1-piperazinyl)phenyl)-2-(1-ethyl-2-hydroxypropyl)-2,4-dihydro-, (3R-(3alpha(1S*,2S*),5alpha))-; 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one; 4-(4-(4-(4-(((3R,5R)-5-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one; 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one; 4-(p-(4-(p-(((3R,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furyl)methoxy)phenyl)-1-piperazinyl)phenyl)-1-((1S,2S)-1-ethyl-2-hydroxypropyl)-delta(sup 2)-1,2,4-triazolin-5-one; 4-[4-(4-{4-[(R)-5-(2,4-difluoro-phenyl)-5-(4,5-dihydro-[1,2,4]triazol-1-ylmethyl)-tetrahydro-furan-3-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2-((1S,2S)-1-ethyl-2-hydroxy-propyl)-2,4-dihydro-[1,2,4]triazol-3-one; D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-((4-(4-(4-(1-((1S,2S)-1-etyl-2-hydroxypropyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)phenyl)-1-piperazinyl)phenoxy)methyl)-1-(1H-1,2,4-triazol-1-yl)-
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Clinical Status |
Approved
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Disease Indication | Candidiasis | ICD-11: 1F23 | [1] | ||
PubChem CID | |||||
Formula |
C37H42F2N8O4
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Canonical SMILES |
CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
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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
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InChIKey |
RAGOYPUPXAKGKH-XAKZXMRKSA-N
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Click to Show/Hide the Molecular Data (Structure/Property) of This API | |||||
Structure |
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=468595"></iframe>
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3D MOL is unavailable | 2D MOL | ||||
Physicochemical Properties | Molecular Weight | 700.8 | Topological Polar Surface Area | 112 | |
XlogP | 4.6 | Complexity | 1170 | ||
Heavy Atom Count | 51 | Rotatable Bond Count | 12 | ||
Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 11 | ||
Full List of Drug Formulations (DFMs) Containing This API | ||||||
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Posaconazole 100 mg tablet | Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s) | |||||
Drug Formulation 1 | DFM Info click to show the detail info of this DFM | |||||
All DIGs | Click to Show/Hide the Full List of DIGs in This DFM
Magnesium stearate; Ferric oxide yellow; Talc; Titanium dioxide; Croscarmellose sodium; Polyethylene glycol 3350; Silicon dioxide; Hydroxypropyl cellulose (1200000 mw); Hypromellose acetate succinate 06081224 (3 mm2/s); Microcrystalline cellulose; Polyvinyl alcohol, unspecified
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Dosage Form | Delayed Release Oral Tablet | |||||
Company | Merck Sharp & Dohme | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Magnesium stearate | DIG Info | Albendazole monooxygenase (Protein expression downregulation) | [2] | |||
Carmellose sodium | DIG Info | Albendazole monooxygenase (Protein expression upregulation) | [2] | |||
Polyethylene glycol 3350 | DIG Info | Albendazole monooxygenase (Protein expression upregulation) | [2] | |||
Silicon dioxide | DIG Info | Albendazole monooxygenase (Protein expression downregulation) | [2] | |||
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