Exact Mass: 454.0097

Exact Mass Matches: 454.0097

Found 58 metabolites which its exact mass value is equals to given mass value 454.0097, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cefazolin

(6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03)


Cefazolin is only found in individuals that have used or taken this drug. It is a semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine. [PubChem]In vitro tests demonstrate that the bactericidal action of cephalosporins results from inhibition of cell wall synthesis. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1045

   

sits

4-Acetamido-4-isothiocyanostilbene-2,2-disulphonic acid

C17H14N2O7S3 (453.9963)


   
   

Sitaxentan

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide

C18H15ClN2O6S2 (454.006)


Sitaxentan is only found in individuals that have used or taken this drug. Sitaxentan is a competitive antagonist of endothelin-1 at the endothelin-A (ET-A) and endothelin-B (ET-B) receptors. Under normal conditions, endothelin-1 binding of ET-A or ET-B receptors causes pulmonary vasoconstriction. By blocking this interaction, Sitaxentan decreases pulmonary vascular resistance. Sitaxentan has a higher affinity for ET-A than ET-B. C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists

   

4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid

N-{4-[2-(4-isothiocyanato-2-sulphophenyl)ethenyl]-3-sulphophenyl}ethanimidic acid

C17H14N2O7S3 (453.9963)


   

(6S,7R)-3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

7-{[1-hydroxy-2-(1H-1,2,3,4-tetrazol-1-yl)ethylidene]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulphanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03)


   

n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide

N-{1-[(4-chlorophenyl)carbamoyl]ethoxy}-3,5-bis(trifluoromethyl)benzene-1-carboximidate

C18H13ClF6N2O3 (454.0519)


   
   
   
   

2-O-Sulfate-[1,1:3,1-Terphenyl]-2,2,2,4,4,4,6,66-nonol,9CI

2-O-Sulfate-[1,1:3,1-Terphenyl]-2,2,2,4,4,4,6,66-nonol,9CI

C18H14O12S (454.0206)


   
   

rogiolol acetate|Togiolol acetate

rogiolol acetate|Togiolol acetate

C17H25Br2ClO2 (453.991)


   

Flavogallonic acid dilactone

Flavogallonic acid dilactone

C21H10O12 (454.0172)


   

flavogallonic acid bislactone

flavogallonic acid bislactone

C21H10O12 (454.0172)


   
   

CCG-1423

N-[2-[4(4-chlorophenyl)amino]-1-methyl-2-oxoethoxy]-3,5-bis(trifluoromethyl)-benzamide

C18H13ClF6N2O3 (454.0519)


CCG-1423 is an inhibitor of Rho/MRTF/SRF pathway. CCG-1423 shows activities in several cancer cells. CCG-1423 is a promising lead compound for the development of novel pharmacologic tools, and it can be used for the research of cancer and diabetes[1][2][3].

   

Cefazolin

Cefazolin

C14H14N8O4S3 (454.03)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins A cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1045 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3663

   

GANGLEOIDIN ACETATE

GANGLEOIDIN ACETATE

C20H16Cl2O8 (454.0222)


   

Sitaxentan

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide

C18H15ClN2O6S2 (454.006)


C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists

   

1h,1h-perfluorooctyl acrylate

1h,1h-perfluorooctyl acrylate

C11H5F15O2 (454.005)


   

1,5-Bis(2-bromo-5-methoxyphenyl)-3-pentanone

1,5-Bis(2-bromo-5-methoxyphenyl)-3-pentanone

C19H20Br2O3 (453.9779)


   

3-[(4-Methyl-3,5-dinitrophenyl)sulfonyl]-2-(3-nitrophenyl)-1,3-th iazolidine

3-[(4-Methyl-3,5-dinitrophenyl)sulfonyl]-2-(3-nitrophenyl)-1,3-th iazolidine

C16H14N4O8S2 (454.0253)


   

3,3,5,5-tetrakis(trifluoromethyl)benzophenone

3,3,5,5-tetrakis(trifluoromethyl)benzophenone

C17H6F12O (454.0227)


   

carbonic acid,2-chloro-4-(trifluoromethyl)phenol

carbonic acid,2-chloro-4-(trifluoromethyl)phenol

C15H10Cl2F6O5 (453.9809)


   

zinc gluconate

Zinc(II) gluconate

C12H22O14Zn (454.0301)


A - Alimentary tract and metabolism > A12 - Mineral supplements > A12C - Other mineral supplements > A12CB - Zinc COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dietary zinc supplement

   

1H,1H-Perfluorohexyl p-toluenesulfonate

1H,1H-Perfluorohexyl p-toluenesulfonate

C13H9F11O3S (454.0097)


   

4-Methylumbelliferyl α-L-idopranosiduronic acid 2-sulphate sodium salt

4-Methylumbelliferyl α-L-idopranosiduronic acid 2-sulphate sodium salt

C16H15NaO12S (454.0182)


   

Bis(4-methylphenyl)iodonium hexafluorophosphate

Bis(4-methylphenyl)iodonium hexafluorophosphate

C14H14F6IP (453.9782)


   

1,8-divinylperfluorooctane

1,8-divinylperfluorooctane

C12H6F16 (454.0214)


   
   

TETRAPHENYLARSONIUM CHLORIDE HYDROCHLORIDE

TETRAPHENYLARSONIUM CHLORIDE HYDROCHLORIDE

C24H21AsCl2 (454.0236)


   

Thiazolidine, 3-[(4-methyl-3,5-dinitrophenyl)sulfonyl]-2-(4-nitrophenyl)- (9CI)

Thiazolidine, 3-[(4-methyl-3,5-dinitrophenyl)sulfonyl]-2-(4-nitrophenyl)- (9CI)

C16H14N4O8S2 (454.0253)


   

rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(iv) dichloride

rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(iv) dichloride

C20H26Cl2SiZr (454.0228)


   

2-({[4-Bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid

2-({[4-Bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid

C18H19BrN2O5S (454.0198)


   

3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03)


   

n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide

n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide

C18H13ClF6N2O3 (454.0519)


CCG-1423 is an inhibitor of Rho/MRTF/SRF pathway. CCG-1423 shows activities in several cancer cells. CCG-1423 is a promising lead compound for the development of novel pharmacologic tools, and it can be used for the research of cancer and diabetes[1][2][3].

   

Cefotaxime(1-)

Cefotaxime(1-)

C16H16N5O7S2- (454.0491)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

(6R,7R)-3-(Acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-3-(Acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C16H16N5O7S2- (454.0491)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

3-Furan-2-yl-acrylic acid 3-bromo-5-[(2-hydroxy-benzoyl)-hydrazonomethyl]-phenyl ester

3-Furan-2-yl-acrylic acid 3-bromo-5-[(2-hydroxy-benzoyl)-hydrazonomethyl]-phenyl ester

C21H15BrN2O5 (454.0164)


   

[(3aS,4S,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aS,4S,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C19H20BrFN2O3S (454.0362)


   

[(3aS,4R,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aS,4R,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C19H20BrFN2O3S (454.0362)


   

[(3aR,4S,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aR,4S,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C19H20BrFN2O3S (454.0362)


   

[(3aR,4R,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aR,4R,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C19H20BrFN2O3S (454.0362)


   

(6R,7S)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7S)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03)


   

Cefotaxime(1-)

Cefotaxime(1-)

C16H16N5O7S2 (454.0491)


A cephalosporin carboxylic acid anion having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups, formed by proton loss from the carboxy group of the cephalosporin cefotaxime.

   

(2r,3s,6r,8s,9s)-2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-yl acetate

(2r,3s,6r,8s,9s)-2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-yl acetate

C17H25Br2ClO2 (453.991)


   

5,6,7,19,20,21-hexahydroxy-10,16-dioxo-11,15-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylic acid

5,6,7,19,20,21-hexahydroxy-10,16-dioxo-11,15-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylic acid

C21H10O12 (454.0172)


   

(1s,4r,5s,6s,9s,11s,14r,15s,18s,22s)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

(1s,4r,5s,6s,9s,11s,14r,15s,18s,22s)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.0327)


   

(3r,4r,4ar,6s,7s)-3,6-dibromo-7-chloro-1,4,4a,7-tetramethyl-3,4,5,6,8,9-hexahydro-2h-benzo[7]annulen-2-yl acetate

(3r,4r,4ar,6s,7s)-3,6-dibromo-7-chloro-1,4,4a,7-tetramethyl-3,4,5,6,8,9-hexahydro-2h-benzo[7]annulen-2-yl acetate

C17H25Br2ClO2 (453.991)


   

(1r,4s,5r,6r,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

(1r,4s,5r,6r,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.0327)


   

5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.0327)


   

(2r,3s,6r,8r,9r)-2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-yl acetate

(2r,3s,6r,8r,9r)-2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-yl acetate

C17H25Br2ClO2 (453.991)


   

(6r,7r)-7-{[1-hydroxy-2-(1,2,3,4-tetrazol-1-yl)ethylidene]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6r,7r)-7-{[1-hydroxy-2-(1,2,3,4-tetrazol-1-yl)ethylidene]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03)


   

2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-yl acetate

2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-yl acetate

C17H25Br2ClO2 (453.991)


   

5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.0327)


   

(1r,4s,5s,7s,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

(1r,4s,5s,7s,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.0327)