Exact Mass: 700.3297

Exact Mass Matches: 700.3297

Found 21 metabolites which its exact mass value is equals to given mass value 700.3297, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

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

C37H42F2N8O4 (700.3297)


Posaconazole is only found in individuals that have used or taken this drug. It is a triazole antifungal drug that is used to treat invasive infections by Candida species and Aspergillus species in severely immunocompromised patients.As a triazole antifungal agent, posaconazole exerts its antifungal activity through blockage of the cytochrome P-450 dependent enzyme, sterol 14alpha-demethylase, in fungi by binding to the heme cofactor located on the enzyme. This leads to the inhibition of the synthesis of ergosterol, a key component of the fungal cell membrane, and accumulation of methylated sterol precursors. This results in inhibition of fungal cell growth and ultimately, cell death.

   

Alpindenoside D

Alpindenoside D

C34H52O15 (700.3306)


   

Jatamanvaltrate A

Jatamanvaltrate A

C34H52O15 (700.3306)


   

Bipindogenin-3-O-??-D-xylopyranosyl(1鈥樏傗垎4)-??-D-allopyranoside

Bipindogenin-3-O-??-D-xylopyranosyl(1鈥樏傗垎4)-??-D-allopyranoside

C34H52O15 (700.3306)


   

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

C37H42F2N8O4 (700.3297)


J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

4-(4-(4-(4-(((3S,5S)-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

4-(4-(4-(4-(((3S,5S)-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

C37H42F2N8O4 (700.3297)


   

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2R)-1-ethyl-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)-D-threo-pentitol

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2R)-1-ethyl-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)-D-threo-pentitol

C37H42F2N8O4 (700.3297)


   

Posaconazole Impurity 14

Posaconazole Impurity 14

C37H42F2N8O4 (700.3297)


   

1,4-Anhydro-2,3,5-trideoxy-4-C-(2,4-difluorophenyl)-2-[[4-[4-[4-[1-[(1S,2R)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-5-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol

1,4-Anhydro-2,3,5-trideoxy-4-C-(2,4-difluorophenyl)-2-[[4-[4-[4-[1-[(1S,2R)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-5-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol

C37H42F2N8O4 (700.3297)


   

Posaconazole Impurity 29

Posaconazole Impurity 29

C37H42F2N8O4 (700.3297)


   

Posaconazole Impurity 26

Posaconazole Impurity 26

C37H42F2N8O4 (700.3297)


   

[(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a,7-dihydroxy-4-({[(2r)-3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl]oxy}methyl)-1-[(3-methylbutanoyl)oxy]-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

[(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a,7-dihydroxy-4-({[(2r)-3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl]oxy}methyl)-1-[(3-methylbutanoyl)oxy]-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

C34H52O15 (700.3306)


   

bipindogenin-3-o-β-d-xylopyranosyl(1→4)-β-d-allopyranoside

NA

C34H52O15 (700.3306)


{"Ingredient_id": "HBIN018542","Ingredient_name": "bipindogenin-3-o-\u03b2-d-xylopyranosyl(1\u21924)-\u03b2-d-allopyranoside","Alias": "NA","Ingredient_formula": "C34H52O15","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2401","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

[(2r,3s,4s,5r,6r)-6-{[(2r,4ar,6ar,8s,10ar,10bs)-4-hydroxy-7,7,10a-trimethyl-2-(2-oxo-5h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3s,4s,5r,6r)-6-{[(2r,4ar,6ar,8s,10ar,10bs)-4-hydroxy-7,7,10a-trimethyl-2-(2-oxo-5h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

C34H52O15 (700.3306)


   

[6-(acetyloxy)-4a,7-dihydroxy-4-[({3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl}oxy)methyl]-1-[(3-methylbutanoyl)oxy]-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

[6-(acetyloxy)-4a,7-dihydroxy-4-[({3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl}oxy)methyl]-1-[(3-methylbutanoyl)oxy]-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

C34H52O15 (700.3306)


   

[(2r,3s,4s,5r,6r)-6-{[(2s,4r,4as,6ar,8s,10as,10bs)-4-hydroxy-7,7,10a-trimethyl-2-(5-oxo-2h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3s,4s,5r,6r)-6-{[(2s,4r,4as,6ar,8s,10as,10bs)-4-hydroxy-7,7,10a-trimethyl-2-(5-oxo-2h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

C34H52O15 (700.3306)


   

[(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a,7-dihydroxy-4-[({3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl}oxy)methyl]-1-[(3-methylbutanoyl)oxy]-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

[(1s,4ar,6s,7r,7as)-6-(acetyloxy)-4a,7-dihydroxy-4-[({3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl}oxy)methyl]-1-[(3-methylbutanoyl)oxy]-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

C34H52O15 (700.3306)


   

[(2r,3s,4s,5r,6r)-6-{[(2r,4s,4as,6ar,8s,10ar,10br)-4-hydroxy-7,7,10a-trimethyl-2-(5-oxo-2h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3s,4s,5r,6r)-6-{[(2r,4s,4as,6ar,8s,10ar,10br)-4-hydroxy-7,7,10a-trimethyl-2-(5-oxo-2h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

C34H52O15 (700.3306)


   

(3,4-dihydroxy-6-{[4-hydroxy-7,7,10a-trimethyl-2-(5-oxo-2h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methyl acetate

(3,4-dihydroxy-6-{[4-hydroxy-7,7,10a-trimethyl-2-(5-oxo-2h-furan-3-yl)-decahydro-1h-naphtho[2,1-c]pyran-8-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methyl acetate

C34H52O15 (700.3306)