Exact Mass: 248.0134724
Exact Mass Matches: 248.0134724
Found 483 metabolites which its exact mass value is equals to given mass value 248.0134724,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,2':5',2'-Terthiophene
2,2:5,2-terthiophene is a terthiophene. 2,2:5,2-Terthiophene is a natural product found in Schoenia cassiniana, Lawrencella rosea, and other organisms with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D010575 - Pesticides > D007306 - Insecticides D003879 - Dermatologic Agents D016573 - Agrochemicals 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene. 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene.
Linuron
C9H10Cl2N2O2 (248.01193000000004)
CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4724; ORIGINAL_PRECURSOR_SCAN_NO 4722 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4711; ORIGINAL_PRECURSOR_SCAN_NO 4707 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4718; ORIGINAL_PRECURSOR_SCAN_NO 4717 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4709; ORIGINAL_PRECURSOR_SCAN_NO 4707 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4732; ORIGINAL_PRECURSOR_SCAN_NO 4729 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4811; ORIGINAL_PRECURSOR_SCAN_NO 4807 CONFIDENCE standard compound; EAWAG_UCHEM_ID 160 CONFIDENCE standard compound; INTERNAL_ID 8412 CONFIDENCE standard compound; INTERNAL_ID 4031 CONFIDENCE standard compound; INTERNAL_ID 2323 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Pyridoxamine 5'-phosphate
C8H13N2O5P (248.05620580000001)
Pyridoxamine 5-phosphate belongs to the class of organic compounds known as pyridoxamine 5-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5-position. Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes in the human body. Vitamin B6 is a water-soluble vitamin. The three major forms of vitamin B6 are pyridoxine (also known as pyridoxol), pyridoxal, and pyridoxamine, which are all converted in the liver to pyridoxal 5-phosphate (PLP) a cofactor in many reactions of amino acid metabolism. PLP also is necessary for the enzymatic reaction governing the release of glucose from glycogen. Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes in the human body. KEIO_ID P113; [MS3] KO009146 KEIO_ID P113; [MS2] KO009143 KEIO_ID P113
Dapsone
A sulfone active against a wide range of bacteria but mainly employed for its actions against mycobacterium leprae. Its mechanism of action is probably similar to that of the sulfonamides which involves inhibition of folic acid synthesis in susceptible organisms. It is also used with pyrimethamine in the treatment of malaria. (From Martindale, The Extra Pharmacopoeia, 30th ed, p157-8) CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5725; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5706; ORIGINAL_PRECURSOR_SCAN_NO 5704 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5675; ORIGINAL_PRECURSOR_SCAN_NO 5671 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5709; ORIGINAL_PRECURSOR_SCAN_NO 5707 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5694; ORIGINAL_PRECURSOR_SCAN_NO 5692 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5720; ORIGINAL_PRECURSOR_SCAN_NO 5718 J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists CONFIDENCE standard compound; EAWAG_UCHEM_ID 3644 CONFIDENCE standard compound; INTERNAL_ID 1024 KEIO_ID A220; [MS2] KO008829 KEIO_ID A220 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Fludioxonil
C12H6F2N2O2 (248.03973200000001)
CONFIDENCE standard compound; INTERNAL_ID 49; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4715; ORIGINAL_PRECURSOR_SCAN_NO 4711 CONFIDENCE standard compound; INTERNAL_ID 49; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4759; ORIGINAL_PRECURSOR_SCAN_NO 4755 CONFIDENCE standard compound; INTERNAL_ID 49; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4745; ORIGINAL_PRECURSOR_SCAN_NO 4740 CONFIDENCE standard compound; INTERNAL_ID 49; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4750; ORIGINAL_PRECURSOR_SCAN_NO 4747 CONFIDENCE standard compound; INTERNAL_ID 49; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4753; ORIGINAL_PRECURSOR_SCAN_NO 4751 CONFIDENCE standard compound; INTERNAL_ID 49; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4731; ORIGINAL_PRECURSOR_SCAN_NO 4728
1,1-Bis(4-chlorophenyl)ethylene
C14H10Cl2 (248.01595200000003)
Indolo[2,1-b]quinazoline-6,12-dione
Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].
1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene
C14H10Cl2 (248.01595200000003)
Enoximone
Enoximone is a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with congestive heart failure. Trials were halted in the U.S., but the drug is used in various countries. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
Vanillic acid 4-O-sulfate
Vanillic acid 4-O-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Vanillic acid 4-O-sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid
2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)acetic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.
4-methoxy-3-(sulfooxy)benzoic acid
4-methoxy-3-(sulfooxy)benzoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-hydroxy-4-methoxybenzoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.
(1,2-Dichloro-2-phenylethenyl)benzene
C14H10Cl2 (248.01595200000003)
Ethene, 1,1-diphenyl-2,2-dichloro-
C14H10Cl2 (248.01595200000003)
Nitrefazole
C10H8N4O4 (248.05455279999998)
C471 - Enzyme Inhibitor
Triflusal
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
Arctic acid
Arctic acid, also known as arctate, is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Arctic acid can be found in burdock, which makes arctic acid a potential biomarker for the consumption of this food product.
Sodium glucoheptonate
C7H13NaO8 (248.05080980000002)
It is used as a food additive .
Calcium galactarate
Potential cause of turbidity in mucic acid rich wines. Calcium galactarate is found in alcoholic beverages.
1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]thiourea
C10H11F3N2S (248.05950019999997)
Thiourea, N-(3,5-dichlorophenyl)-N-ethyl-
C9H10Cl2N2S (247.99417200000002)
3,5,9-trihydroxy-7,8-dihydrocyclopenta[g]chromene-2,6-dione|rubusin A
1-Chloro-4-[5-(1, 3-pentadiynyl)-2-thienyl]-3-butyn-2-ol, 9CI
C13H9ClOS (248.00626139999997)
5-(1-propynyl)-2,2-bithienyl-5-carboxylic acid|Arctic acid
(10Z)-10-bromo-3-chloro-alpha-myrcene|(E)-10-Bromo-3-chloro-alpha-myrcen|6-(Z)-bromomethylene-3-chloro-2-methyl-octa-1,7-diene
3-(Z)-bromomethylene-2-chloro-7-methyl-octa-1,6-diene
1-chloro-4-[5-(penta-1,3-diyn-1-yl)-2-thienyl]-but-3-yn-2-ol|2-(4-Chloro-3-hydroxybut-1-ynyl)-5-(penta-1,3-diynyl) thiophene
C13H9ClOS (248.00626139999997)
Couropitin A|Couroupitin A|Couroupitine A|indolo[1,2-h][1,7]naphthyridine-6,12-dione
2-(1-propynyl)-5-(6-chloro-5-hydroxyhex-3-yn-1-ynyl)-thiophene|5--6-chloro-5-hydroxyhexa-3,5-diyne
C13H9ClOS (248.00626139999997)
2-(1-propynyl)-5-(5-chloro-6-hydroxyhex-3-yn-1-ynl)-thiophene
C13H9ClOS (248.00626139999997)
2--5-<3-chlor-4-hydroxy-butin-(1)-yl>-thiophen|2-chloro-4-(5-penta-1,3-diynyl-thiophen-2-yl)-but-3-yn-1-ol|2-Chloro-4-[5-(1,3-Pentadiynyl)-2-thienyl]-3-butyn-1-ol|2-chloro-4-[5-(penta-1,3-diyn-1-yl)-2-thienyl]-but-3-yn-1-ol
C13H9ClOS (248.00626139999997)
Indigoidine
C10H8N4O4 (248.05455279999998)
A member of the class of pyridone that is a dimeric blue pigment biosynthesised from L-glutamine.
2-Deoxy-4-[5-Methyl-[2,2-bithiophen]-5-yl]-3-butyne-1,2-diol|5-methyl-[5-(4-hydroxy-1-butynyl)]-2,2-bithiophene
C13H12OS2 (248.03295419999998)
2-Acetyl-3,5,8-trihydroxy-1,4-naphthochinon|2-acetyl-3,5,8-trihydroxy-1,4-naphthoquinone|2-Hydroxy-3-acetyl-naphthazarin|3-Acetyl-2-hydroxy-naphthazarin
4Y6E3F2U66
Tryptanthrine is an organonitrogen heterocyclic compound, an organic heterotetracyclic compound and an alkaloid antibiotic. Indolo[2,1-b]quinazoline-6,12-dione is a natural product found in Isatis tinctoria, Cissus discolor, and other organisms with data available. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].
Fludioxonil
C12H6F2N2O2 (248.03973200000001)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 162
LINURON
C9H10Cl2N2O2 (248.01193000000004)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
dapsone
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3,3-Sulfonyldianiline
CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5699; ORIGINAL_PRECURSOR_SCAN_NO 5698 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5698; ORIGINAL_PRECURSOR_SCAN_NO 5694 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5724; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5733; ORIGINAL_PRECURSOR_SCAN_NO 5730 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5745; ORIGINAL_PRECURSOR_SCAN_NO 5744 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5735; ORIGINAL_PRECURSOR_SCAN_NO 5733
Enoximone
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
1-chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol
C13H9OSCl (248.00626139999997)
3,5-dichloro-4-propoxybenzoic acid
C10H10Cl2O3 (248.00069700000003)
ETHYL 3-METHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXYLATE HYDROCHLORIDE
1H-1,2,4-Triazole-3-carboxamide,N-(4,7-dihydro-2,1,3-benzothiadiazol-4-yl)-
2-(2-Bromophenyl)ethanimidamide hydrochloride
C8H10BrClN2 (247.97158299999998)
5-METHYL-1-(4-NITROPHENYL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
C10H8N4O4 (248.05455279999998)
2-[(4-CHLOROPHENYL)SULFONYL]-N-HYDROXYETHANIMIDAMIDE
2-(3,4-DICHLOROPHENOXY)PROPANOHYDRAZIDE
C9H10Cl2N2O2 (248.01193000000004)
Sulfabenz
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-THIAZOLECARBOXYLICACID,4-(4-AMINOPHENYL)-,ETHYLESTER
4,5-Dichloro-2-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one
C9H10Cl2N2O2 (248.01193000000004)
2,6-Dihydroxypyrrolo(3,4-f)isoindole-1,3,5,7(2H,6H)-tetrone
(4-CHLORO-PHENYL)-[2-(3-FLUORO-PHENYL)-ETHYL]-AMINE
2-BROMO-4,4,4-TRIFLUOROBUTYRIC ACID ETHYL ESTER
C6H8BrF3O2 (247.96597240000003)
Ethyl 4-methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxylate
3-(2-METHYL-PROPANE-2-SULFONYL)-THIOPHENE-2-CARBOXYLIC ACID
C9H12O4S2 (248.01769919999998)
4-bromo-1-(dimethoxymethyl)-2-fluorobenzene
C9H10BrFO2 (247.98481519999999)
3-BROMO-4-FLUOROBENZALDEHYDE DIMETHYL ACETAL
C9H10BrFO2 (247.98481519999999)
2-(3-METHYL-4-NITRO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
Nimazone
C11H9ClN4O (248.04648539999997)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-Quinolinecarbonitrile,4-hydroxy-8-(methylsulfonyl)-
3-CHLORO-2-HYDROXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonyl chloride
4-bromo-2-(dimethoxymethyl)-1-fluorobenzene
C9H10BrFO2 (247.98481519999999)
1-bromo-2-(dimethoxymethyl)-4-fluorobenzene
C9H10BrFO2 (247.98481519999999)
ethyl 2-(3-aminophenyl)-1,3-thiazole-4-carboxylate
3,5-DICHLORO-4-HYDROXYBENZOIC ACID PROPYL ESTER
C10H10Cl2O3 (248.00069700000003)
5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
2-(4-chlorophenylthio)benzaldehyde
C13H9ClOS (248.00626139999997)
ethyl 2-(2,5-dichlorophenoxy)acetate
C10H10Cl2O3 (248.00069700000003)
1-(4-CHLORO-PHENYL)-2-ISOPROPYLAMINO-ETHANOL
C13H9ClOS (248.00626139999997)
3-BROMO-5-FLUORO-2-METHOXYPHENYLBORONIC&
C7H7BBrFO3 (247.96556139999998)
(6-Bromo-3-fluoro-2-methoxyphenyl)boronic acid
C7H7BBrFO3 (247.96556139999998)
2-(4-CHLOROPHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE
C10H5ClN4O2 (248.01010200000002)
4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-phenyl-2-thioxo-
(Z)-METHYL 2-(2-AMINOTHIAZOL-4-YL)PENT-2-ENOATE HYDROCHLORIDE
2-BROMO-6-FLUORO-3-METHOXYPHENYLBORONIC ACID
C7H7BBrFO3 (247.96556139999998)
6-Bromo-2-fluoro-3-methoxyphenylboronic acid
C7H7BBrFO3 (247.96556139999998)
3-BROMO-6-FLUORO-2-METHOXYPHENYLBORONIC ACID
C7H7BBrFO3 (247.96556139999998)
2-chloro-5-(4-chlorophenyl)pyridine-3-carbonitrile
Pyridine,4,4-[dithiobis(methylene)]bis-
C12H12N2S2 (248.04418719999998)
3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER
Methyl 5-(2-nitrophenyl)-1,2-oxazole-3-carboxylate
6-Chloro-3-(1H-tetrazol-5-yl)-4H-chromen-4-one
C10H5ClN4O2 (248.01010200000002)
ALPHA-(TRIFLUOROMETHYL)-3-PYRIDINEMETHANAMINEHYDROCHLORIDE
C7H9Cl2F3N2 (248.00948499999998)
4-CHLORO-3-HYDROXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
3-(4-Chloro-phenyl)-pyrazine-2-carboxylic acid Methyl ester
2-(3-Bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C9H18BBrO2 (248.05831380000004)
3,5-DICHLORO-4-METHOXYBENZOIC ACID ETHYL ESTER
C10H10Cl2O3 (248.00069700000003)
2-(2,4-dichlorophenoxy)propionic acid hydrazide
C9H10Cl2N2O2 (248.01193000000004)
Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid dianhydride
THIENO[3,4-B]-1,4-DIOXIN, 2,3-DIHYDRO-5-(4-METHOXYPHENYL)-
2-(2,4-dichlorophenoxy)-2-methyl-propanoic acid
C10H10Cl2O3 (248.00069700000003)
4-Bromo-2-fluoro-1-(2-methoxyethoxy)benzene
C9H10BrFO2 (247.98481519999999)
5-(4-methoxy-2-methylphenyl)thiophene-2-carboxylic acid
2-(6-oxo-[1,3]dioxolo[4,5-g]chromen-8-yl)acetic acid
2-[(5-Amino-3-methyl-1,2-oxazol-4-yl)sulfanyl]-1-phenylethanone
2-(3,5-Dichlorophenoxy)-2-methylpropanoic acid
C10H10Cl2O3 (248.00069700000003)
2-(Methoxycarbonyl)-4-(trifluoromethyl)phenylboronic acid
C9H8BF3O4 (248.04677139999998)
3-Bromo-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
C8H10BrClN2 (247.97158299999998)
7-Chloro-6-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride
C9H10Cl2N2O2 (248.01193000000004)
methyl N-(6-thiocyanato-1H-benzimidazol-2-yl)carbamate
METHYL 8-NITRO-4-OXO-1,4-DIHYDROQUINOLINE-2-CARBOXYLATE
(4-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE
C7H9Cl2F3N2 (248.00948499999998)
1-[4-(3-bromopropyl)piperazin-1-yl]ethanone
C9H17BrN2O (248.05241719999998)
4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxylic acid
ethyl 2-(2,6-dichlorophenoxy)acetate
C10H10Cl2O3 (248.00069700000003)
methyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
C9H12O4S2 (248.01769919999998)
ETHYL 4-METHYL-2-(PYRIDIN-2-YL)THIAZOLE-5-CARBOXYLATE
4-ETHYL BENZENESULFONYL CHLORIDE-FUNCTIONALIZED SILICA GEL
ethyl 2-hydroxypyrimidine-5-carboxylate hydrochloride
1-[6-(Trifluoromethyl)-2-pyridinyl]methanamine dihydrochloride
C7H9Cl2F3N2 (248.00948499999998)
2-amino-3-Methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butyric acid
C7H12N4O4S (248.05792319999998)
Ethyl 4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate Hydrochloride
2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione
6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C11H8N2OS2 (248.00780379999998)
ethyl 2-amino-4-(4-pyridinyl)-3-thiophenecarboxylate
METHYL 4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLATE
C9H12O4S2 (248.01769919999998)
1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
2-(4-AMINO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)BENZYL ALCOHOL
1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride
CalciuM Saccharate
C471 - Enzyme Inhibitor > C1017 - Glucuronidase Inhibitor
N-(2,2-DIMETHOXYETHYL)TRICHLOROACETAMIDINE
C6H11Cl3N2O2 (247.98860760000002)
3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonyl chloride
1-[2-(methylsulfonyl)pyridin-4-yl[cyclopropan-1-amine hydrochloride
4-amino-2-chloro-5-((trimethylsilyl)ethynyl)benzonitrile
C12H13ClN2Si (248.05364880000002)
4-chloro-1-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine
Ethyl 3-(3,4-Dichlorophenyl)carbazate
C9H10Cl2N2O2 (248.01193000000004)
5-Fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione
3-(4-FLUORO-PHENYL)-2-THIOPHEN-2-YL-ACRYLIC ACID
C13H9FO2S (248.03072659999998)
4-Chloro-2-fluoro-3-(2-methoxyethoxy)phenylboronic acid
C9H11BClFO4 (248.04229180000002)
3-methyl-5-nitro-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
C10H8N4O4 (248.05455279999998)
5-AMINO-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
C10H8N4O4 (248.05455279999998)
[2-(2-CHLORO-ACETYLAMINO)-THIAZOL-5-YL]-ACETIC ACID METHYL ESTER
Potassium bisaccharate
D-Glucaric acid potassium (Potassium D-glucarate) is an endogenous metabolite.
2-chloro-3-[(2R)-2-methylpiperazin-1-yl]pyrazine,hydrochloride
Ethyl 2-(3-chloro-2-methylphenyl)-2,2-difluoroacetate
2-(4-(Dimethylamino)phenyl)thiazole-4-carboxylic acid
methyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate,hydrochloride
[6-(4-chloroanilino)pyridin-3-yl]boronic acid
C11H10BClN2O2 (248.05238200000002)
4-Bromo-2-fluoro-6-methoxyphenylboronic acid
C7H7BBrFO3 (247.96556139999998)
2-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carbaldehyde
3-TRIFLUOROMETHANESULFONYLOXY-BUT-2-ENOIC ACID METHYL ESTER
C6H7F3O5S (247.99662880000002)
potassium (4-methyl-1-naphthalene)trifluoroborate
C11H9BF3K (248.03864399999998)
Butanoic acid,2-(2,4-dichlorophenoxy)-
C10H10Cl2O3 (248.00069700000003)
(2-(METHOXYCARBONYL)-3-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C9H8BF3O4 (248.04677139999998)
(2-(METHOXYCARBONYL)-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C9H8BF3O4 (248.04677139999998)
ETHYL 4-METHYL-2-(PYRIDIN-4-YL)THIAZOLE-5-CARBOXYLATE
S-Ethyl-N-[4-(trifluoromethyl)phenyl]isothiourea
C10H11F3N2S (248.05950019999997)
Ethene, 1,1-diphenyl-2,2-dichloro-
C14H10Cl2 (248.01595200000003)
(1,2-Dichloro-2-phenylethenyl)benzene
C14H10Cl2 (248.01595200000003)
N-[3-(2-amino-1-hydroxyethyl)-4-fluorophenyl]methanesulfonamide
N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester
C12H9FN2O3 (248.05971759999997)
1-chloro-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one
C9H9ClO2S2 (247.97324840000002)
2,4-Dichlorophenoxybutyric acid
C10H10Cl2O3 (248.00069700000003)
Triflusal
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
Tryptanthrin
Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].
terthiophene
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D010575 - Pesticides > D007306 - Insecticides D003879 - Dermatologic Agents D016573 - Agrochemicals 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene. 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene.
(4-Amino-1-hydroxy-1-phosphono-butyl)phosphonic acid
4-(2,3-Dioxo-3-hydroxypropyl)-4-carboxytetrahydro-2H-thiopyran 1-oxide
[(2S,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
Alendronate(1-)
D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
2,4-dihydroxyacetophenone-5-O-sulfate
An acetophenone substituted by hydroxy groups at positions 2 and 4, and by a sulfooxy group at position 5. It is a metabolite of the Chinese medicine Shuangdan granule.
N-(6-methoxy-3-pyridinyl)-3-methyl-2-thiophenecarboxamide
Mesylmethyl(benzyl)sulfone
C9H12O4S2 (248.01769919999998)
A member of the class of benzenes that is benzene substituted by a [(methanesulfonyl)methanesulfonyl]methyl group.
2-[fluoro(trifluoromethoxy)methyl]-6-methyl-1H-benzimidazole
C10H8F4N2O (248.05727259999998)
5-(Dimethylaminomethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
cis-4-(3-Hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid
4-(3-Hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid
3-(1,1-Dioxothiolan-3-yl)-5-methyl-2-sulfanylideneimidazolidin-4-one
C8H12N2O3S2 (248.02893219999999)
(4-Ethyl-2-hydroxy-6-methoxyphenyl) hydrogen sulate
Terthiophene
2,2:5,2-terthiophene is a terthiophene. 2,2:5,2-Terthiophene is a natural product found in Schoenia cassiniana, Lawrencella rosea, and other organisms with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D010575 - Pesticides > D007306 - Insecticides D003879 - Dermatologic Agents D016573 - Agrochemicals 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene. 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene.
pyridoxamine phosphate
C8H13N2O5P (248.05620580000001)
A vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine.
2-chloro-6-[5-(prop-1-yn-1-yl)thiophen-2-yl]hexa-3,5-diyn-1-ol
C13H9ClOS (248.00626139999997)
3,12-diazatetracyclo[8.7.0.0²,⁸.0¹¹,¹⁵]heptadeca-1,5,7,10,12,14,16-heptaene-4,9-dione
(e)-5,5'-diamino-2,2'-dihydroxy-[3,3'-bipyridinylidene]-6,6'-dione
C10H8N4O4 (248.05455279999998)
1-chloro-6-[5-(prop-1-yn-1-yl)thiophen-2-yl]hexa-3,5-diyn-2-ol
C13H9ClOS (248.00626139999997)
(2s)-2-chloro-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-ol
C13H9ClOS (248.00626139999997)
3,12-diazatetracyclo[8.7.0.0²,⁸.0¹¹,¹⁵]heptadeca-1(17),2,5,7,10,13,15-heptaene-4,9-dione
3,5,9-trihydroxy-7h,8h-cyclopenta[g]chromene-2,6-dione
(3r,6z)-6-(bromomethylidene)-3-chloro-2-methylocta-1,7-diene
7,8,9-trihydroxy-1h,2h-cyclopenta[c]isochromene-3,5-dione
methyl 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxylate
2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene
(2s)-1-chloro-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-2-ol
C13H9ClOS (248.00626139999997)
4-{5'-methyl-[2,2'-bithiophen]-5-yl}but-3-yn-1-ol
C13H12OS2 (248.03295419999998)
4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohex-1-ene
3-(5,7-dihydroxy-4-oxochromen-2-yl)prop-2-enoic acid
5'-amino-2,2',6'-trihydroxy-5-imino-[3,3'-bipyridin]-6-one
C10H8N4O4 (248.05455279999998)
6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene
2,3,5-tris(methylsulfanyl)benzene-1,4-diol
C9H12O2S3 (247.99994120000002)
1-chloro-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-2-ol
C13H9ClOS (248.00626139999997)
(6z)-6-(bromomethylidene)-3-chloro-2-methylocta-1,7-diene
methyl 3-[(2r)-3-bromo-5-oxo-2h-furan-2-yl]propanoate
3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene
2-chloro-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-ol
C13H9ClOS (248.00626139999997)
11-hydroxy-8,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-10-one
(3e)-2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene
(3z)-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene
(2s,4r)-2-(1h-indol-3-yl)-1,3-thiazolidine-4-carboxylic acid
(2r)-2-chloro-6-[5-(prop-1-yn-1-yl)thiophen-2-yl]hexa-3,5-diyn-1-ol
C13H9ClOS (248.00626139999997)