Exact Mass: 545.180949

Exact Mass Matches: 545.180949

Found 20 metabolites which its exact mass value is equals to given mass value 545.180949, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Doxorubicinol

(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8-[(1S)-1,2-dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C27H31NO11 (545.1897016)


Doxorubicinol belongs to the family of Anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.

   

4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium

4-{[4-(diethylamino)phenyl](2,4-disulphophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium

C27H33N2O6S2 (545.1779938000001)


4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium belongs to the family of Diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. (http://en.wikipedia.org/wiki/Diphenylmethane)

   

Doxorubicinol aglycone

10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C27H31NO11 (545.1897016)


Doxorubicinol aglycone is a metabolite of doxorubicin. Doxorubicin is a drug used in cancer chemotherapy. It is an anthracycline antibiotic, closely related to the natural product daunomycin, and like all anthracyclines, it works by intercalating DNA. Doxorubicin is commonly used in the treatment of a wide range of cancers, including hematological malignancies, many types of carcinoma, and soft tissue sarcomas. Doxorubicins most serious adverse effect is life-threatening heart damage. (Wikipedia)

   
   
   

Doxorubicinol

Doxorubicinol

C27H31NO11 (545.1897016)


A member of the class of tetracenequinones that is the major metabolite of the anthracycline doxorubicin, a chemotherapeutic agent effective against a broad range of malignant neoplasms. It is thought to exhibit cardiotoxic properties.

   

Sufrexal

Ketanserin tartrate

C26H28FN3O9 (545.180949)


C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Ketanserin (R41468) tartrate is a selective 5-HT2 receptor antagonist. Ketanserin tartrate also blocks hERG current (IhERG) in a concentration-dependent manner (IC50=0.11 μM).

   

3-[(2R)-2-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

3-[(2R)-2-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

C28H24F5N3O3 (545.1737734)


   

4-nitrophenyl 2-acetamido-3-o-(2-acetamido-2-deoxy-b-d-glucopyranosyl)-2-deoxy-a-d-galactopyranoside

4-nitrophenyl 2-acetamido-3-o-(2-acetamido-2-deoxy-b-d-glucopyranosyl)-2-deoxy-a-d-galactopyranoside

C22H31N3O13 (545.1856796)


   

4-Nitrophenyl 2-acetamido-6-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-α-D-galactopyranoside

4-Nitrophenyl 2-acetamido-6-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-α-D-galactopyranoside

C22H31N3O13 (545.1856796)


   

GalNAc beta(1-3)GlcNAc-beta-pNP

GalNAc beta(1-3)GlcNAc-beta-pNP

C22H31N3O13 (545.1856796)


   

p-nitrophenyl beta-d-n,n-diacetylchitobiose

4-Nitrophenyl N,N-Diacetyl-beta-D-chitobioside

C22H31N3O13 (545.1856796)


   

[4-[[4-(Diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium

[4-[[4-(Diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium

C27H33N2O6S2+ (545.1779938000001)


   

4-{[4-(Diethylamino)phenyl](2,5-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium

4-{[4-(Diethylamino)phenyl](2,5-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium

C27H33N2O6S2+ (545.1779938000001)


   
   

4-[(2E)-2-[(3-Methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide

4-[(2E)-2-[(3-Methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide

C27H27N7O4S (545.1845142000001)


   

2-[(e)-[(3-{[(1e,2r,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid

2-[(e)-[(3-{[(1e,2r,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid

C24H35NO9S2 (545.1753140000001)


   

2-[(e)-[(3-{[(1e,2s,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid

2-[(e)-[(3-{[(1e,2s,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid

C24H35NO9S2 (545.1753140000001)


   

2-{[(3-{[(1e)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino}ethanesulfonic acid

2-{[(3-{[(1e)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino}ethanesulfonic acid

C24H35NO9S2 (545.1753140000001)


   

2-[(e)-[(3-{[(1e,2s,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid

2-[(e)-[(3-{[(1e,2s,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-5,6-dihydroxy-2-(sulfooxy)phenyl)methylidene]amino]ethanesulfonic acid

C24H35NO9S2 (545.1753140000001)