Exact Mass: 278.042651
Exact Mass Matches: 278.042651
Found 418 metabolites which its exact mass value is equals to given mass value 278.042651,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulfamethazine
Sulfamethazine is only found in individuals that have used or taken this drug. It is a sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides. [PubChem]Sulfonamides inhibit the enzymatic conversion of pteridine and p-aminobenzoic acid (PABA) to dihydropteroic acid by competing with PABA for binding to dihydrofolate synthetase, an intermediate of tetrahydrofolic acid (THF) synthesis. THF is required for the synthesis of purines and dTMP and inhibition of its synthesis inhibits bacterial growth. Pyrimethamine and trimethoprim inhibit dihydrofolate reductase, another step in THF synthesis, and therefore act synergistically with the sulfonamides. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides Widely-used, short acting sulfonamide. Potential food contaminant in animal products arising from its veterinary use C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1008
Fenthion
Fenthion is an insecticide with low mammalian toxicity. Fenthion is used in agriculture and against mosquito larvae in tropical fresh waters.Fenthion is an organothiophosphate insecticide, avicide, and acaricide. Like most other organophosphates, its mode of action is via cholinesterase inhibition. Due to its relatively low toxicity towards humans and mammals, fenthion is listed as moderately toxic compound in U.S. Environmental Protection Agency and World Health Organization toxicity class. (Wikipedia). Insecticide with low mammalian toxicity. It is used in agriculture and against mosquito larvae in tropical fresh waters D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Alcophosphamide
Detoxification of cyclophosphamide is effected, in part, by hepatic class 1 aldehyde dehydrogenase (ALDH-1)-catalyzed oxidation of aldophosphamide, a pivotal aldehyde intermediate, to the nontoxic metabolite, carboxyphosphamide. Detoxification of aldophosphamide may also be effected by enzymes, viz. Thus, NAD-linked oxidation and NADPH-linked reduction of aldophosphamide catalyzed by relevant erythrocyte enzymes were quantified. (PMID: 9394035) It has already been demonstrated that horse liver alcohol dehydrogenase catalyzes the reduction of aldophosphamide to alcophosphamide. (PMID: 8216347) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Alcoifosfamide
Alcoifosfamide is a metabolite of ifosfamide. Ifosfamide (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia)
Treosulfan
Treosulfan belongs to the family of Methanesulfonates. These are compounds containing a methanesulfonate moiety, which consists of a methane linked to the sulfur atom of a sulfonate group. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AB - Alkyl sulfonates C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Cyclophosphamide monohydrate
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens D018501 - Antirheumatic Agents
2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
3,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one
3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid
D-Erythroascorbic acid 1'-a-D-xylopyranoside
D-Erythroascorbic acid 1-a-D-xylopyranoside is found in mushrooms. D-Erythroascorbic acid 1-a-D-xylopyranoside is produced by Pleurotus ostreatus (oyster mushroom). Production by Pleurotus ostreatus (oyster mushroom). D-Erythroascorbic acid 1-a-D-xylopyranoside is found in mushrooms.
Dehydroxymethylflazine
Dehydroxymethylflazine is found in blackcurrant. Dehydroxymethylflazine is from blackcurrant (Ribes nigrum) (Grossulariaceae). From blackcurrant (Ribes nigrum) (Grossulariaceae). Dehydroxymethylflazine is found in fruits and blackcurrant.
3,5-dimethoxy-4-(sulfooxy)benzoic acid
3,5-dimethoxy-4-(sulfooxy)benzoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 4-hydroxy-3,5-dimethoxybenzoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.
Fluorescamine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Sulfisomidine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Arctic acid C
Arctic acid c, also known as arctate c, 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 c is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Arctic acid c can be found in burdock, which makes arctic acid c a potential biomarker for the consumption of this food product.
5-hydroxyindole thiazolidine carboxylate
5-hydroxyindole thiazolidine carboxylate belongs to alpha amino acids and derivatives class of compounds. Those are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 5-hydroxyindole thiazolidine carboxylate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 5-hydroxyindole thiazolidine carboxylate can be found in a number of food items such as biscuit, common pea, black salsify, and guava, which makes 5-hydroxyindole thiazolidine carboxylate a potential biomarker for the consumption of these food products.
12-Bromo-4(13),6,8,10-lauratetracene
SULFISOMIDINE
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
5-(naphthalen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
TRIPHENYLPHOSPHINE OXIDE
CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8827; ORIGINAL_PRECURSOR_SCAN_NO 8826 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8840; ORIGINAL_PRECURSOR_SCAN_NO 8839 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8870; ORIGINAL_PRECURSOR_SCAN_NO 8869 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8871; ORIGINAL_PRECURSOR_SCAN_NO 8868 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8916; ORIGINAL_PRECURSOR_SCAN_NO 8915 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8885 CONFIDENCE standard compound; INTERNAL_ID 2472 CONFIDENCE standard compound; INTERNAL_ID 8813 CONFIDENCE standard compound; INTERNAL_ID 8250 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3587 EAWAG_UCHEM_ID 3587; CONFIDENCE standard compound
2-Cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enethioamide
2-(4-Chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.081 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.080
thiaminium carboxylate betaine
An ammonium betaine that is the conjugate base of thiamine(1+) carboxylic acid arising from the deprotonation of the carboxy group.
2,5,7,8-tetrahydroxy-3,6-diethyl-1,4-naphthoquinone
4-hydroxy-4a,7-dimethoxy-4,4a-dihydrodibenzo-p-dioxin-2(3H)-one
7,8-Di-Me ether,5-Ac-5,7,8-Trihydroxy-2-methyl-4H-1-benzopyran-4-one
(1R,2S,5R)-2-(3-methoxy-4,5-methylenedioxyphenyl)-3,7-dioxa-6-oxobicyclo<3.3.0>octane|(1R,2S,5R)-2-(3-methoxy-4,5-methylenedioxyphenyl)-3,7-dioxa-6-oxobicyclo[3.3.0]octane
5-Hydroxy-6-(1-hydroxyethyl)-2,7-dimethoxy-1,4-naphthoquinone
lawsonaphthoate C|methyl 1,6-dihydroxy-4,5-dimethoxy naphthalene-2-carboxylate
2,3-Dimethoxy-4,6-dihydroxy-1,2,3,4-tetrahydrodibenzofuran-1-one
5-(4-acetoxy-1-butenyl)-2,2-bithienyl
C14H14O2S2 (278.04351840000004)
(2-amino-5-bromo-phenyl)-pyridin-2-yl-methanol
C12H11BrN2O (278.00546959999997)
4,6-dihydroxy-9-methoxy-7-methylnaphtho<2,3-d>-1,3-dioxole-5,8-dione|nepenthone-A
sulfamethazine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1309; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8847; ORIGINAL_PRECURSOR_SCAN_NO 8846 CONFIDENCE standard compound; INTERNAL_ID 1309; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8855; ORIGINAL_PRECURSOR_SCAN_NO 8853 CONFIDENCE standard compound; INTERNAL_ID 1309; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8876 CONFIDENCE standard compound; INTERNAL_ID 1309; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8904; ORIGINAL_PRECURSOR_SCAN_NO 8903 CONFIDENCE standard compound; INTERNAL_ID 1309; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8916; ORIGINAL_PRECURSOR_SCAN_NO 8915 CONFIDENCE standard compound; INTERNAL_ID 1309; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8901; ORIGINAL_PRECURSOR_SCAN_NO 8900 CONFIDENCE standard compound; INTERNAL_ID 4099 CONFIDENCE standard compound; INTERNAL_ID 8503 CONFIDENCE standard compound; EAWAG_UCHEM_ID 181 CONFIDENCE standard compound; INTERNAL_ID 1008
fenthion
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 3155 CONFIDENCE standard compound; INTERNAL_ID 8480
3-(5,7-dimethoxy-4-oxochromen-2-yl)propanoic acid
C14H14O6_6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7,9-tetrahydroxy-4a-methyl
(1S,4S,8R,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylic acid
triphenylphosphineoxide
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1081
Exifone
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent CONFIDENCE standard compound; INTERNAL_ID 440; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2781; ORIGINAL_PRECURSOR_SCAN_NO 2779 CONFIDENCE standard compound; INTERNAL_ID 440; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2821; ORIGINAL_PRECURSOR_SCAN_NO 2820 CONFIDENCE standard compound; INTERNAL_ID 440; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2820; ORIGINAL_PRECURSOR_SCAN_NO 2819 CONFIDENCE standard compound; INTERNAL_ID 440; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2811; ORIGINAL_PRECURSOR_SCAN_NO 2809 CONFIDENCE standard compound; INTERNAL_ID 440; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2887; ORIGINAL_PRECURSOR_SCAN_NO 2885 CONFIDENCE standard compound; INTERNAL_ID 440; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2823; ORIGINAL_PRECURSOR_SCAN_NO 2822
(1S,4S,8R,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylic acid_major
(1S,4S,8R,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹?.0?,¹?]tetradeca-2,5-diene-5-carboxylic acid
D-Erythroascorbic acid 1'-a-D-xylopyranoside
3-(5,7-Dimethoxy-4-oxo-4H-chromen-2-yl)propanoic acid
5-(hexa-5-en-1,3-diyn-1-yl)-5-(prop-1-yn-1-yl)-2,2-bithiophene
Acecarbromal
C9H15BrN2O3 (278.02659800000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
chloroethene,ethenyl acetate,3-hydroxypropyl prop-2-enoate
12-Bromododecanoic Acid
A bromo fatty acid consisting of lauric acid having a single bromo-substituent at the 12-position.
5-(ISOPROPYLSULFONYL)-2-(3-PYRIDYL)PYRIMIDIN-4-AMINE
2-[2-(2 H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETYLAMINO]-BENZOIC ACID
C11H10N4O3S (278.04735900000003)
Methyl 4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylate sulfate (1:1)
C9H14N2O6S (278.05725440000003)
6-chloro-2,2-dimethyl-4-(trifluoromethyl)chromen-7-ol
4,4,5,5-TETRAMETHYL-2-(5-(TRIFLUOROMETHYL)THIOPHEN-2-YL)-1,3,2-DIOXABOROLANE
Propanedioic acid,2-(tetrahydro-1,1-dioxido-3-thienyl)-, 1,3-diethyl ester
1-{4-[(2-CHLORO-6-FLUOROBENZYL)OXY]PHENYL}ETHAN-1-ONE
C15H12ClFO2 (278.05098139999996)
3-AMINO-5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
5-(ISOPROPYLSULFONYL)-2-(2-PYRIDYL)PYRIMIDIN-4-AMINE
methyl 4-acetyloxy-8-chloronaphthalene-2-carboxylate
3,4-DIFLUORO-3,4-DIMETHOXYBENZOPHENONE
C15H12F2O3 (278.07544659999996)
3-(4-OXO-3,4,5,6,7,8-HEXAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)-PROPIONIC ACID
METHYL 3,3-DIFLUORO-5-METHOXY-[1,1-BIPHENYL]-4-CARBOXYLATE
C15H12F2O3 (278.07544659999996)
METHYL 3,5-DIFLUORO-2-METHOXY-[1,1-BIPHENYL]-4-CARBOXYLATE
C15H12F2O3 (278.07544659999996)
1-(5-Bromo-6-methoxy-2-naphthyl)ethanone
C13H11BrO2 (277.99423659999997)
2-Chloro-1,3-dimethylimidazolidinium hexafluorophosphate
(4-HYDROXYMETHYL-2-PYRIDIN-3-YL-OXAZOLIDIN-4-YL)-METHANOL
Benzenesulfonamide,4-chloro-N-(1-methylethyl)-3-nitro-
TERT-BUTYL (4-FORMYLBENZO[D]THIAZOL-2-YL)CARBAMATE
Methyl 6-acetamido-4-chloroquinoline-2-carboxylate
C13H11ClN2O3 (278.04581659999997)
2-Bromo-1-(4-(4-methyl-1H-imidazol-1-yl)phenyl)ethanone
C12H11BrN2O (278.00546959999997)
5-Nitro-2-Furaldehyde (5-Nitrofurfurylene)Hydrazone
3-(2-Chloroethyl)-2-methyl-9-hydroxy--6, 7,8,9-tetrahydro-4H-pyrido [1,2-a] pyrimidin-4-one Hcl
C11H16Cl2N2O2 (278.05887759999996)
3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid
2-Amino-5-bromo-3-benzloxypyridine
C12H11BrN2O (278.00546959999997)
methyl 6-(bromomethyl)naphthalene-1-carboxylate
C13H11BrO2 (277.99423659999997)
4-[(4-chlorobenzoyl)amino]-1-methylpyrrole-2-carboxylic acid
C13H11ClN2O3 (278.04581659999997)
(1Z)-(2,4-DIFLUOROPHENYL)-4-PIPERIDINYLMETHANONEOXIMEACETATE
C14H14O2S2 (278.04351840000004)
chloroethene,ethenyl acetate,2-hydroxypropyl prop-2-enoate
Tipiracil hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
1-(BICYCLO[3.1.0]HEXAN-3-YL)-6-(METHYLSULFONYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
2-bromo-1-(5-methyl-1-phenylpyrazol-4-yl)ethanone
C12H11BrN2O (278.00546959999997)
METHYL 3-HYDRAZINO-4-(PROPYLSULFONYL)THIOPHENE-2-CARBOXYLATE
4-[2-amino-4-(trifluoromethyl)phenoxy]benzonitrile
2-(4-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
C12H11BrN2O (278.00546959999997)
CL 218872
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants CL 218872 is a selective and orally active benzodiazepine of α1 subunit-containing GABAAreceptor with a Ki of 130 nM. CL 218872 exerts anxiolytic and anticonvulsant in vivo[1].
2-Fluoro-2-deoxy-1,3,5-tri-O-acetyl-α-D-arabinofuranose
4-([(2-PYRIDINYLMETHYL)AMINO]METHYL)BENZOIC ACID HYDROCHLORIDE
2-(4-Chloro-phenyl)-4-hydroxy-pyriMidine-5-carboxylic acid ethyl ester
C13H11ClN2O3 (278.04581659999997)
4-(3-Chloropropyl)piperazine-1-ethanol dihydrochloride
4-Chloro-6,7,8-trimethoxy-3-quinolinecarbonitrile
C13H11ClN2O3 (278.04581659999997)
Ethyl 2-(4-nitrophenyl)thiazole-4-carboxylate
METHYL 3-HYDRAZINO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLATE
(3Z)-4-(1,3-Benzodioxol-5-yl)-3-(ethoxycarbonyl)-3-butenoic acid
N-(methylsulfanylmethoxy)-2-nitrobenzenesulfonamide
N-Succinimidyl p-nitrophenylacetate
C12H10N2O6 (278.05388400000004)
[2-(3-CHLOROPHENYL)-1,3-THIAZOL-4-YL]METHANAMINE HYDROCHLORIDE MONOHYDRATE
3-methylimidazo[4,5-f]quinolin-2-amine,hydrobromide
1-(3-Methanesulfonylpropyl)piperazine dihydrochloride
4-(5-CHLOROCARBONYL-FURAN-2-YL)-BENZOIC ACID ETHYL ESTER
ethyl 6-chloro-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate
C10H6ClF3N2O2 (278.00698819999997)
2-(10H-Phenothiazin-10-yl)ethan-1-amine hydrochloride
1-(5-CHLORO-2-THIENYL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE
5-(Benzyloxy)-3-bromo-2-pyridinamine
C12H11BrN2O (278.00546959999997)
3-(DIMETHYLAMINO)-2-(2-BROMOBENZOYL)ACRYLONITRILE
C12H11BrN2O (278.00546959999997)
5-(3,4,5-trimethoxyphenyl)-4H-pyrazole-3-carboxylic acid
3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
6-BROMO-1,1,4,4,7-PENTAMETHYL-1,4-DIHYDRONAPHTHALENE
2-Amino-4-[(3,4-diaminophenyl)sulfonyl]phenylamine
Methyl 5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazol e-2-carboxylate
8-Chloronaphthalene-1-sulfonic acid dihydrate
C10H11ClO5S (278.00157060000004)
methyl 2-[(1-chloro-3,4-dihydronaphthalen-2-yl)-hydroxymethyl]prop-2-enoate
6-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
C12H11BrN2O (278.00546959999997)
2-[(4-Chlorobenzyl)sulfanyl]benzenecarboxylic acid
ethyl (E)-3-(4-methyl-1,3-thiazol-5-yl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
C13H11ClN2O3 (278.04581659999997)
2-(4-BROMOPHENYL)-4,5,6,7-TETRAHYDROOXAZOLO[4,5-C]PYRIDINE
C12H11BrN2O (278.00546959999997)
Benzoic acid,4-chloro-2-[(6-methoxy-3-pyridinyl)amino]-
C13H11ClN2O3 (278.04581659999997)
3-hydroxy-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
(3aR,5R,6S,6aS)-6-chloro-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
2-(2-HYDROXYETHYLAMINO)-N-(3-(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE
C11H13F3N2O3 (278.08782240000005)
2-(4-BROMOBENZOYL)-3-(DIMETHYLAMINO)ACRYLONITRILE
C12H11BrN2O (278.00546959999997)
ethyl 2-(4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)acetate
1-(2-chloropyrimidin-4-yl)-5-fluoro-3-methyl-1H-benzo[d]imidazol-2(3H)-one
Methyl-(3-phenyl-isoxazol-5-ylmethyl)-amine OXALATE
Albendazole-2-aMinosulfone-D3 hydrochloride
C10H11D3ClN3O2S (278.068352934)
1-BENZYL-4,6-DICHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE
(Disulfanediyldi-4,1-phenylene)dimethanol
C14H14O2S2 (278.04351840000004)
3-methyl-2-methylsulfanyl-5-nitro-6-pyridin-4-ylpyrimidin-4-one
C11H10N4O3S (278.04735900000003)
TERT-BUTYL ((3-BROMO-4,5-DIHYDROISOXAZOL-5-YL)METHYL)CARBAMATE
C9H15BrN2O3 (278.02659800000004)
Dimethyl 2-(4-cyano-2-nitrophenyl)malonate
C12H10N2O6 (278.05388400000004)
4-Methylbenzenesulfonothioic acid S-(4-methylphenyl) ester
C14H14O2S2 (278.04351840000004)
METHYL 8-CHLORO-6-(TRIFLUOROMETHYL)IMIDAZO[1,2-A]PYRIDINE-7-CARBOXYLATE
C10H6ClF3N2O2 (278.00698819999997)
4-bromo-2-[(pyridin-2-ylamino)methyl]phenol
C12H11BrN2O (278.00546959999997)
9-fluoro-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline,dihydrochloride
10-fluoro-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline,dihydrochloride
2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylic acid
3-(6-CHLORO-PYRIDAZIN-3-YLOXY)-BENZOIC ACID ETHYL ESTER
C13H11ClN2O3 (278.04581659999997)
Sulfamide, N-(((2S)-6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-
1-(2-Chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
Itramin tosylate
C9H14N2O6S (278.05725440000003)
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
Ethyl 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetate
3-[(2,4-Difluorophenoxy)methyl]-4-methoxybenzaldehyde
C15H12F2O3 (278.07544659999996)
8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
3-Methyl-1,5-dithiophen-2-ylpentane-1,5-dione
C14H14O2S2 (278.04351840000004)
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
C12H7FN2OS2 (277.99838239999997)
4-(2-Hydroxy-4-fluorophenylthio)-butylphosphonic acid
3,9-Dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one
5-methyl-N-(4-nitrophenyl)-1-oxo-1lambda4-thiophene-2-carboxamide
(+)-Microdiplodiasone
An organic heterobicyclic compound that is 2,3-dihydro-4H-chromen-4-one substituted by hydroxy groups at positions 5 and 7, a methyl group at position 2 and a 5-oxotetrahydrofuran-2-yl group at position 2. Isolated from the endophytic fungus Microdiplodia species, it exhibits antibacterial activity.
{(2E)-4-oxo-2-[(2E)-(pyridin-2-ylmethylidene)hydrazinylidene]-1,3-thiazolidin-5-yl}acetic acid
C11H10N4O3S (278.04735900000003)
4,4-Dihydroxybenzyl sulfone
A sulfone compound having two S-4-hydroxybenzyl substituents. Isolated from the tuber of Gastrodia elata, it exhibits inhibitory effect on platelet aggregation.
1-(2,5-Dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone
1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile
2-[(5-Acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid ethyl ester
benzotriazol-1-yl 1H-indole-5-carboxylate
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-isoxazolecarboxamide
C8H5F3N4O2S (278.00853060000003)
N-(3-cyano-2-thiophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
2-[[1-(2-Methoxyethyl)-5-tetrazolyl]thio]-1-phenylethanone
2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester
ethyl (E)-3-[5-(3-chlorophenyl)tetrazol-2-yl]prop-2-enoate
C12H11ClN4O2 (278.05704959999997)
1-[3-(Trifluoromethyl)phenyl]-2-(phenylsilyl)ethane
5-(4-(Dimethylamino)benzylidene)-2-thioxo-1,3-thiazinan-4-one
N-(4-chlorophenyl)-N-(1-pyridin-1-iumyl)carbamimidothioic acid methyl ester
hydrogen ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonate
6-[(3-methyl-5-nitro-1H-imidazol-3-ium-4-yl)sulfanyl]-7H-purine
(4R)-2-[(5-hydroxy-1H-indol-3-yl)methyl]-4-thiazolidinecarboxylic acid
(6-Amino-1-benzyl-3-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)-oxidoazanium
8-(1,2-Dihydroxypropan-2-yl)-9-hydroxy-8,9-dihydrouro[2,3-h]chromen-2-one
(5E)-5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
2-Hydroxy-3-(4-hydroxy-3-sulooxyphenyl)propanoic acid
(2S)-2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Treosulfan
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AB - Alkyl sulfonates C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Alcophosphamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(2-furyl)-
5-NIdR
5-NIdR (1-(β-D-2-Deoxyribofuranosyl)-5-nitroindole), an artificial nucleoside, exhibits the ability to inhibit the replication of DNA lesions generated by Temozolomide (HY-17364). 5-NIdR induces cancer cells apoptosis and arrests cell cycle at G0 phase. 5-NIdR enhances Temozolomide anti-tumor efficacy in murine glioblastoma model[1].
methyl 3-(7,8-dihydroxy-3-methyl-1-oxoisochromen-6-yl)propanoate
[7-hydroxy-4-oxo-2-(2-oxopropyl)-2,3-dihydro-1-benzopyran-5-yl]acetic acid
(s)-hydroxy[5'-(prop-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]acetic acid
methyl (2r,2's,5'r)-2',5-dihydroxy-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-5'-carboxylate
methyl 2',5-dihydroxy-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-5'-carboxylate
(1r,4s,5s,6r)-4,6-dihydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-5-yl benzoate
1-[3-(bromomethyl)-1-methyl-2-methylidenecyclopentyl]-4-methylbenzene
7,8-dihydroxy-3-methoxy-3-methyl-1h,4h-pyrano[4,3-b]chromen-10-one
methyl (2z)-4-[(3z)-5,6-dihydroxy-2-oxo-1-benzofuran-3-ylidene]-4-hydroxybut-2-enoate
3,4,9-trihydroxy-7-methoxy-2h,3h-naphtho[2,3-b]furan-5,8-dione
Acid decyl ester
{"Ingredient_id": "HBIN014548","Ingredient_name": "Acid decyl ester","Alias": "NA","Ingredient_formula": "C12H23BrO2","Ingredient_Smile": "CCCCCCCCCCOC(=O)CBr","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32867","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1,5,6-trihydroxy-2-oxocyclohex-3-en-1-yl)methyl benzoate
(5z)-3-methoxy-5-[2-(4-methoxy-2-oxo-5h-pyrrol-1-yl)-2-oxoethylidene]-1-methylpyrrol-2-one
3-hydroxy-5-methylphenyl 2-[(2s)-4-hydroxy-2-methyl-5-oxofuran-2-yl]acetate
6,10-dihydroxy-4,5-dimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-one
4,6-dihydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-5-yl benzoate
2-ethyl-3,5,8-trihydroxy-6-methoxy-7-methylnaphthalene-1,4-dione
(2r)-3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid
2-hydroxy-6-[(4r)-4-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-4-methoxybenzoic acid
methyl (4z,6e)-7-(3,4-dihydroxyphenyl)-5-hydroxy-3-oxohepta-4,6-dienoate
4-hydroxy-2-(4-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl)-6-methoxybenzoic acid
3,5-dichloro-2-hydroxy-4-methoxy-6-propylbenzoic acid
C11H12Cl2O4 (278.01126120000004)
(2z)-4-{5-[(1e)-2-carboxyeth-1-en-1-yl]-2-hydroxyphenoxy}-4-oxobut-2-enoic acid
(2s,3r)-3,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
(1r,10r,11r,15r)-4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-3,5,7-trien-13-one
methyl 7-(3,4-dihydroxyphenyl)-5-hydroxy-3-oxohepta-4,6-dienoate
methyl 8-methoxy-5-oxo-4,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-triene-12-carboxylate
4,6-dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-3,5,7-trien-13-one
4-(7-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-3h-furo[3,4-c]furan-1-one
3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-5h-pyrrol-1-yl)-2-oxoethylidene]-1-methylpyrrol-2-one
[(1r,5s,6r)-1,5,6-trihydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoate
4-hydroxy-2-[(4r)-4-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-6-methoxybenzoic acid
[(2s)-7-hydroxy-4-oxo-2-(2-oxopropyl)-2,3-dihydro-1-benzopyran-5-yl]acetic acid
(3as,9ar,9bs)-8-chloro-6,9-dimethyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
4,6-dihydroxy-9-methoxy-7-methyl-2h-naphtho[2,3-d][1,3]dioxole-5,8-dione
(5z)-3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-5h-pyrrol-1-yl)-2-oxoethylidene]-1-methylpyrrol-2-one
5,7-dihydroxy-2-methyl-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-4-one
5-hydroxy-3-(3h-imidazol-4-yl)-4-(1h-indol-3-yl)pyrrol-2-one
6,8-dihydroxy-3-(2-hydroxy-4-oxopentyl)isochromen-1-one
(6s,7r)-2,4,7-trihydroxy-6-(hydroxymethyl)-6-methyl-1,3,5,2λ⁵,4λ⁵-trioxadiphosphocane-2,4-dione
6-methyl-4-oxo-5,6-dihydropyran-3-yl 2,4-dihydroxy-6-methylbenzoate
4-[5-(2-carboxyeth-1-en-1-yl)-2-hydroxyphenoxy]-4-oxobut-2-enoic acid
4,7,8-trimethoxy-3-methyl-2-oxochromene-5-carbaldehyde
methyl 4-[(3z)-5,6-dihydroxy-2-oxo-1-benzofuran-3-ylidene]-4-hydroxybut-2-enoate
(1s,4s,8r,10r,11s,14s)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylic acid
8-chloro-6,9-dimethyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
(3ar,4s,6ar)-4-(7-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-3h-furo[3,4-c]furan-1-one
8-methoxy-10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
(1r,4r)-1-benzyl-6-hydroxy-4-(hydroxymethyl)-2-methyl-7-thia-2,5-diazabicyclo[2.2.1]hept-5-en-3-one
16-methoxy-3,12-diazatetracyclo[8.7.0.0²,⁸.0¹¹,¹⁵]heptadeca-1(17),2,5,7,10,13,15-heptaene-4,9-dione
6-ethyl-5,7,8-trihydroxy-2-methoxy-3-methylnaphthalene-1,4-dione
3,5,8-trihydroxy-7-methoxy-2h,3h-naphtho[2,3-b]furan-4,9-dione
(5e)-3-(hydroxymethyl)-5-[2-(4-methoxy-2-oxo-5h-pyrrol-1-yl)-2-oxoethylidene]-1-methylpyrrol-2-one
2,7-diethyl-3,5,6,8-tetrahydroxynaphthalene-1,4-dione
2-(7-methoxy-1h-indol-3-yl)-2,2-bis(methylsulfanyl)acetonitrile
6-(acetyloxy)-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-8-yl acetate
4,6,7,8,12-pentahydroxy-10-methyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-2-one
(4z)-7-hydroxy-4-(phenylmethylidene)-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8,11-tetraen-5-one
(2z)-4-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-3-chloropent-2-enedioic acid
6,8-dihydroxy-3-[(2s)-2-hydroxy-4-oxopentyl]isochromen-1-one
4,7-dihydroxy-9-methoxy-6-methyl-2h-naphtho[2,3-d][1,3]dioxole-5,8-dione
methyl 3-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)propanoate
1-[(1r,3s)-3-(bromomethyl)-1-methyl-2-methylidenecyclopentyl]-4-methylbenzene
3-hydroxy-5-methylphenyl 2-[(2s)-2-hydroxy-4-methyl-5-oxofuran-2-yl]acetate
(3r)-6-(acetyloxy)-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-8-yl acetate
1-benzyl-6-hydroxy-4-(hydroxymethyl)-2-methyl-7-thia-2,5-diazabicyclo[2.2.1]hept-5-en-3-one
4-bromo-2-[(2-hydroxyphenyl)methyl]phenol
C13H11BrO2 (277.99423659999997)