Exact Mass: 545.1427712000001

Exact Mass Matches: 545.1427712000001

Found 63 metabolites which its exact mass value is equals to given mass value 545.1427712000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP-beta-L-4-epi-vancosamine

dTDP-L-epivancosamine; dTDP-beta-L-4-epi-vancosamine; dTDP-3-amino-2,3,6-trideoxy-3-methyl-beta-L-arabino-hexopyranose

C17H29N3O13P2 (545.1175564)


   
   

Alvelestat

Alvelestat

C25H22F3N5O4S (545.1344528000001)


COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

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)

   

Alvelestat

N-((5-(Methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide

C25H22F3N5O4S (545.1344528000001)


COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

5-(3-(4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)phenanthridin-6(5H)-one

5-{3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-yn-1-yl}-5,6-dihydrophenanthridin-6-one

C31H20ClN5OS (545.1077020000001)


   

THOS Streptonigrin

5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-{5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl}-3-methylpyridine-2-carboxylic acid

C28H27N5O7 (545.1910392)


   

Adafosbuvir

Propan-2-yl 2-[({[2-fluoro-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl)amino]propanoic acid

C22H29FN3O10P (545.1574516)


   
   
   
   
   
   
   
   
   
   
   

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.

   

Isopropylidene Azastreptonigrin

Isopropylidene Azastreptonigrin

C28H27N5O7 (545.1910392)


   

CP-945598 HCl

Otenabant hydrochloride

C25H26Cl3N7O (545.1264316)


C78272 - Agent Affecting Nervous System > C29728 - Anorexiant

   
   

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)


   

Uprifosbuvir

Uprifosbuvir

C22H29ClN3O9P (545.1329864)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

5-Chloro-N,N-bis[2-(ethoxy carbonyloxy) ethyl]-2-methoxy-4-(5-nitro-1,3-thiazol-2-ylazo) aniline

5-Chloro-N,N-bis[2-(ethoxy carbonyloxy) ethyl]-2-methoxy-4-(5-nitro-1,3-thiazol-2-ylazo) aniline

C20H24ClN5O9S (545.0983204)


   

Adafosbuvir

Propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C22H29FN3O10P (545.1574516)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor

   

Gefapixant citrate

Gefapixant citrate

C20H27N5O11S (545.1427712000001)


C78272 - Agent Affecting Nervous System > C177180 - P2X Purinoreceptor Antagonist

   

5-(3-(4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)phenanthridin-6(5H)-one

5-(3-(4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)phenanthridin-6(5H)-one

C31H20ClN5OS (545.1077020000001)


   

[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)


   

afrormosin-7-O-glucoside-6-O-malonate

afrormosin-7-O-glucoside-6-O-malonate

C26H25O13- (545.12951)


   
   

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)


   

N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide

N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide

C23H36BrN3O5S (545.1558906)


   

N-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide

N-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide

C23H36BrN3O5S (545.1558906)


   
   

N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2,2,2-trifluoroethylsulfonyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2,2,2-trifluoroethylsulfonyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

C20H30F3N3O7S2 (545.1477186000001)


   
   
   

8-{7-amino-6,10-dihydroxy-3-methyl-1,9-dioxo-3h,4h-naphtho[2,3-c]pyran-8-ylidene}-10-hydroxy-3-methyl-3h,4h-naphtho[2,3-c]pyran-1,6,7,9-tetrone

8-{7-amino-6,10-dihydroxy-3-methyl-1,9-dioxo-3h,4h-naphtho[2,3-c]pyran-8-ylidene}-10-hydroxy-3-methyl-3h,4h-naphtho[2,3-c]pyran-1,6,7,9-tetrone

C28H19NO11 (545.0958064)


   

(3r)-8-[(3r)-7-amino-6,10-dihydroxy-3-methyl-1,9-dioxo-3h,4h-naphtho[2,3-c]pyran-8-ylidene]-10-hydroxy-3-methyl-3h,4h-naphtho[2,3-c]pyran-1,6,7,9-tetrone

(3r)-8-[(3r)-7-amino-6,10-dihydroxy-3-methyl-1,9-dioxo-3h,4h-naphtho[2,3-c]pyran-8-ylidene]-10-hydroxy-3-methyl-3h,4h-naphtho[2,3-c]pyran-1,6,7,9-tetrone

C28H19NO11 (545.0958064)


   

2,3,9,20,23,27-hexahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.0²,⁷.0³,¹⁴.0⁸,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-1(16),8,10,12,17(26),19,21,23,27-nonaene-5,18,25-trione

2,3,9,20,23,27-hexahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.0²,⁷.0³,¹⁴.0⁸,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-1(16),8,10,12,17(26),19,21,23,27-nonaene-5,18,25-trione

C29H23NO10 (545.1321898)


   

12-(3,4-dimethoxyphenyl)-7,18-dihydroxy-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

12-(3,4-dimethoxyphenyl)-7,18-dihydroxy-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C30H27NO9 (545.1685732000001)


   

7-hydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

7-hydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C30H27NO9 (545.1685732000001)


   

(2r,3s,4r,6r,7r,14s)-2,3,9,20,23,27-hexahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.0²,⁷.0³,¹⁴.0⁸,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-1(16),8,10,12,17(26),19,21,23,27-nonaene-5,18,25-trione

(2r,3s,4r,6r,7r,14s)-2,3,9,20,23,27-hexahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.0²,⁷.0³,¹⁴.0⁸,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-1(16),8,10,12,17(26),19,21,23,27-nonaene-5,18,25-trione

C29H23NO10 (545.1321898)


   

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)


   

12-(3,5-dimethoxyphenyl)-7,18-dihydroxy-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

12-(3,5-dimethoxyphenyl)-7,18-dihydroxy-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C30H27NO9 (545.1685732000001)


   

7-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

7-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C30H27NO9 (545.1685732000001)


   

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)


   

(3r)-7-amino-8-[(3r)-7,10-dihydroxy-3-methyl-1,6,9-trioxo-3h,4h-naphtho[2,3-c]pyran-8-yl]-10-hydroxy-3-methyl-3h,4h-naphtho[2,3-c]pyran-1,6,9-trione

(3r)-7-amino-8-[(3r)-7,10-dihydroxy-3-methyl-1,6,9-trioxo-3h,4h-naphtho[2,3-c]pyran-8-yl]-10-hydroxy-3-methyl-3h,4h-naphtho[2,3-c]pyran-1,6,9-trione

C28H19NO11 (545.0958064)


   

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)