Exact Mass: 267.03862100000003
Exact Mass Matches: 267.03862100000003
Found 354 metabolites which its exact mass value is equals to given mass value 267.03862100000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulfisoxazole
C11H13N3O3S (267.06775880000004)
Sulfisoxazole is only found in individuals that have used or taken this drug. It is a short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms. [PubChem]Sulfisoxazole is a competitive inhibitor of the enzyme dihydropteroate synthetase. It inhibits bacterial synthesis of dihydrofolic acid by preventing the condensation of the pteridine with para-aminobenzoic acid (PABA), a substrate of the enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3072; ORIGINAL_PRECURSOR_SCAN_NO 3068 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6520; ORIGINAL_PRECURSOR_SCAN_NO 6519 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3077; ORIGINAL_PRECURSOR_SCAN_NO 3073 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6493; ORIGINAL_PRECURSOR_SCAN_NO 6491 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6549; ORIGINAL_PRECURSOR_SCAN_NO 6547 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3096; ORIGINAL_PRECURSOR_SCAN_NO 3094 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3126; ORIGINAL_PRECURSOR_SCAN_NO 3125 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6542; ORIGINAL_PRECURSOR_SCAN_NO 6539 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6522; ORIGINAL_PRECURSOR_SCAN_NO 6521 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6555; ORIGINAL_PRECURSOR_SCAN_NO 6553 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3083; ORIGINAL_PRECURSOR_SCAN_NO 3080 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3067; ORIGINAL_PRECURSOR_SCAN_NO 3065 J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1013 Sulfisoxazole (Sulfafurazole) is an orally active endothelin receptor antagonist with IC50 values of 0.60 μM and 22 μM against endothelin receptor A and endothelin receptor B, respectively. Sulfisoxazole is a sulfonamide antibacterial agent with an oxazole substituent. Sulfisoxazole inhibits breast cancer exosome release by targeting endothelin receptor A[1][2].
OXYCARBOXIN
C12H13NO4S (267.05652580000003)
A substituted aniline that is aniline in which one of the hydrogens attached to the nitrogen atom by a (2-methyl-4,4-dioxido-5,6-dihydro-1,4-oxathiin-3-yl)carbonyl group. CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7124; ORIGINAL_PRECURSOR_SCAN_NO 7121 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3210; ORIGINAL_PRECURSOR_SCAN_NO 3208 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3197; ORIGINAL_PRECURSOR_SCAN_NO 3195 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7114 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3208; ORIGINAL_PRECURSOR_SCAN_NO 3207 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7096; ORIGINAL_PRECURSOR_SCAN_NO 7091 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3211; ORIGINAL_PRECURSOR_SCAN_NO 3209 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3204; ORIGINAL_PRECURSOR_SCAN_NO 3202 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3196; ORIGINAL_PRECURSOR_SCAN_NO 3194 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7129; ORIGINAL_PRECURSOR_SCAN_NO 7127
S-Ribosylhomocysteine
C9H17NO6S (267.07765420000004)
S-(5-deoxy-beta-D-ribos-5-yl)-L-homocysteine is an S-(5-deoxy-D-ribos-5-yl)-L-homocysteine in which the anomeric centre has beta-configuration. It has a role as an Escherichia coli metabolite. It is functionally related to a L-homocysteine.
Chlornaphazine
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine
This compound It is a byproduct of 6-pyruvoyltetrahydropterin synthase (EC 4.2.3.12), and associated with 6-Pyruvoyltetrahydropterin synthase deficiency (an autosomal recessive disorder that causes malignant hyperphenylalaninemia due to tetrahydrobiopterin deficiency). (Wikipedia). This compound It is a byproduct of 6-pyruvoyltetrahydropterin synthase (EC 4.2.3.12), and associated with 6-Pyruvoyltetrahydropterin synthase deficiency (an autosomal recessive disorder that causes malignant hyperphenylalaninemia due to tetrahydrobiopterin deficiency). [HMDB]
4-Nitrososulfamethoxazole
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Sulfamoxole
C11H13N3O3S (267.06775880000004)
Sulfamoxole is only found in individuals that have used or taken this drug. It is a sulfonamide antibacterial. Sulfamoxole is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. This enzyme is needed for the proper processing of para-aminobenzoic acid (PABA) which is essential for folic acid synthesis. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
5-Chloro-4-(2-imidazolin-4-on-2-ylamino)-2,1,3-benzothiazdiazole
5-Chloro-4-(2-imidazolin-4-on-2-ylamino)-2,1,3-benzothiadiazole is one of the two major metabolites of tizanidine (PMID: 9929503, 19961320). Tizanidine (trade names Zanaflex, Sirdalud) is a drug that is used as a muscle relaxant. It is a centrally acting α2 adrenergic agonist. It is used to treat the spasms, cramping, and tightness of muscles caused by medical problems such as multiple sclerosis, spastic diplegia, back pain, or certain other injuries to the spine or central nervous system. It is also prescribed off-label for migraine headaches, as a sleep aid, and as an anticonvulsant (Wikipedia).
Guanidine, (4-chloro-3-methoxy-1-oxo-1H-2-benzopyran-7-yl)-
(S)-2-Amino-5-((4-nitrophenyl)amino)-5-oxopentanoic acid
3'-C-Ethynylcytidine
Sulfatroxazole
C11H13N3O3S (267.06775880000004)
N-acetylglutamyl-phosphate
N-acetylglutamyl-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). N-acetylglutamyl-phosphate can be found in a number of food items such as tronchuda cabbage, guava, sweet rowanberry, and acorn, which makes N-acetylglutamyl-phosphate a potential biomarker for the consumption of these food products.
ICM 0201
ethyl 2-(3-thioxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
5,10-Dioxobenzo[g]quinoline-4-carboxylic acid methyl ester
L-erythro-N-benzoyl-3-hydroxy-glutamic acid|L-erythro-N-Benzoyl-3-hydroxy-glutaminsaeure
3-(2-amino-4,6-dioxo-3,4,5,6-tetrahydro-pteridin-7-yl)-2-hydroxy-propionic acid|Ekapterin
sulfamoxol
C11H13N3O3S (267.06775880000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides A sulfonamide-based antibacterial agent where 4-aminobenzenesulfonic acid and 4,5-dimethyl-1,3-oxazol-2-amine have combined to form the sulfonamide bond. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 8; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE standard compound; INTERNAL_ID 1019
sulfisoxazole
C11H13N3O3S (267.06775880000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides Sulfisoxazole (Sulfafurazole) is an orally active endothelin receptor antagonist with IC50 values of 0.60 μM and 22 μM against endothelin receptor A and endothelin receptor B, respectively. Sulfisoxazole is a sulfonamide antibacterial agent with an oxazole substituent. Sulfisoxazole inhibits breast cancer exosome release by targeting endothelin receptor A[1][2].
N2-(4-Nitrophenyl)-L-glutamine
CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2776; ORIGINAL_PRECURSOR_SCAN_NO 2775 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2670; ORIGINAL_PRECURSOR_SCAN_NO 2668 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2770; ORIGINAL_PRECURSOR_SCAN_NO 2767 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2698; ORIGINAL_PRECURSOR_SCAN_NO 2695 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2719; ORIGINAL_PRECURSOR_SCAN_NO 2717 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2769; ORIGINAL_PRECURSOR_SCAN_NO 2768 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5877; ORIGINAL_PRECURSOR_SCAN_NO 5874 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5889; ORIGINAL_PRECURSOR_SCAN_NO 5886 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5895; ORIGINAL_PRECURSOR_SCAN_NO 5893 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5903; ORIGINAL_PRECURSOR_SCAN_NO 5901 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5926; ORIGINAL_PRECURSOR_SCAN_NO 5924 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5926; ORIGINAL_PRECURSOR_SCAN_NO 5925
2-Amino-4-oxo-6-(1,2-dioxoprolyl)-7,8-dihydroxypteridine
N-(2-Methylphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
3-(3,4-DICHLOROPHENOXY)BENZYLAMINE
C13H11Cl2NO (267.02176560000004)
Methyl 3-Amino-5-(4-chlorophenyl)thiophene-2-carboxylate
C12H10ClNO2S (267.01207500000004)
Ethyl 3-chloro-5-aminosulfonyl-1-methylpyrazole-4-carboxylate
(2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone
3,3a,4,5,6,7-hexahydro-3-hydroxy-2-thiocarbamoyl-3-trifluoromethyl-2h-indazole
C9H12F3N3OS (267.06531379999996)
METHYL 2-[(2-THIENYLCARBONYL)AMINO]THIOPHENE-3-CARBOXYLATE
N-BENZYL-BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE
C11H16Cl3N (267.03482660000003)
3-(3-nitrophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
1-(2-chlorobenzoyl)piperidine-4-carboxylic acid
C13H14ClNO3 (267.06621640000003)
2,5-DIMETHYL-1-(2-(TRIFLUOROMETHYL)PHENYL)-1H-PYRROLE-3-CARBALDEHYDE
(4-BROMOPHENYL)(PIPERIDIN-4-YL)METHANONE
C12H14BrNO (267.02586940000003)
2-tert-Butylamino-1-(3,5-dichloro-2-thienyl)ethanol
2-AMINO-4-(4-CHLORO-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
C12H10ClNO2S (267.01207500000004)
6-(Dimethylamino)-4-hydroxy-2-naphthalenesulfonic acid
C12H13NO4S (267.05652580000003)
ethyl 4-(2-chlorophenyl)thiazole-2-carboxylate
C12H10ClNO2S (267.01207500000004)
1-(2,4-DINITROPHENYL)PYRIDINIUMCHLORIDE
C13H11Cl2NO (267.02176560000004)
tert-butyl N-(4,5-dichlorothiophen-3-yl)carbamate
C9H11Cl2NO2S (266.98875260000005)
(4-BROMO-3-METHYLPHENYL)(PYRROLIDIN-1-YL)METHANONE
C12H14BrNO (267.02586940000003)
3-Quinolinecarboxylic acid, 5-chloro-1,2-dihydro-4-hydroxy-1-Methyl-2-oxo-, Methyl ester
4-(2-fluorophenoxy)pyridine-2-carboximidamide,hydrochloride
4-(4-fluorophenoxy)pyridine-2-carboximidamide,hydrochloride
4-(3-fluorophenoxy)pyridine-2-carboximidamide,hydrochloride
6-(2-chlorophenyl)pyridine-2-carboximidamide,hydrochloride
C12H11Cl2N3 (267.03299860000004)
6-(3-chlorophenyl)pyridine-2-carboximidamide,hydrochloride
C12H11Cl2N3 (267.03299860000004)
6-(4-chlorophenyl)pyridine-2-carboximidamide,hydrochloride
C12H11Cl2N3 (267.03299860000004)
3-AMINO-3-(2-FLUORO-5-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(3-CHLORO-5-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
3-AMINO-3-(4-CHLORO-3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
2-Chloro-N-(4-chlorophenethyl)propan-1-amine hydrochloride
C11H16Cl3N (267.03482660000003)
2-(4-Bromophenyl)-1-(1-pyrrolidinyl)ethanone
C12H14BrNO (267.02586940000003)
(4-(dimethylamino)pyridin-3-yl)(2-thioxothiazolidin-3-yl)methanone
2-(4-NITROPHENYL)IMIDAZO[1,2-A]PYRIDINE-3-CARBOXALDEHYDE
5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide
4-(4-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
1-Amino-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid
Methyl 4-(3-chlorophenyl)-2-methylthiazole-5-carboxylate
C12H10ClNO2S (267.01207500000004)
Thieno[2,3-b]pyrazine-6-carboxylic acid,7-[(carboxycarbonyl)amino]-
ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
2-(4-fluoro-phenyl)-quinoline-4-carboxylic acid
C16H10FNO2 (267.06955320000003)
4-CHLORO-9-METHYL-1,2,3,4-TETRAHYDROACRIDINE HYDROCHLORIDE
S-(2,3,4-Trihydroxybutyl)mercapturic Acid
C9H17NO6S (267.07765420000004)
4-[4-(chloromethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
4-METHOXY-2-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-AMINE
ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
N,N-(7-HYDROXYTHIAZOLO[4,5-D]PYRIMIDINE-2,5-DIYL)DIACETAMIDE
4-methyl-N-(trifluoromethylsulfonyl)benzamide
C9H8F3NO3S (267.01769740000003)
2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid
1-(2-chloroacetyl)-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl ester
(4-CHLORO-3-(PIPERIDINE-1-CARBONYL)PHENYL)BORONIC ACID
3-CHLORO-4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
(3-CHLORO-4-(CYCLOPENTYLCARBAMOYL)PHENYL)BORONIC ACID
(3-Chloro-5-(piperidine-1-carbonyl)phenyl)boronic acid
5-(4-CHLORO-2-NITRO-PHENYL)FURAN-2-CARBOXYLIC ACID
1-(3-Chlorobenzoyl)piperidine-4-carboxylic acid
C13H14ClNO3 (267.06621640000003)
1-(4-CHLOROBENZYL)-1H-PYRAZOL-5-AMINEHYDROCHLORIDE
C13H14ClNO3 (267.06621640000003)
6-[4-(Trifluoromethoxy)phenyl]-2-pyridinecarbaldehyde
6-bromo-1,4,4-trimethyl-3H-quinolin-2-one
C12H14BrNO (267.02586940000003)
2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide
2-METHOXY-4-NITROBENZENEDIAZONIUM TETRAFLUOROBORATE
ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE- 3-CARBOXYLATE
2-BENZO[1,3]DIOXOL-5-YL-IMIDAZO[1,2-A]PYRIMIDINE-3-CARBALDEHYDE
1-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
C12H10ClNO2S (267.01207500000004)
1-(3,4-DICHLOROPHENYL)-4-OXOCYCLOHEXANECARBONITRILE
C13H11Cl2NO (267.02176560000004)
Benzenesulfonamide,N-(2-chlorophenyl)-
C12H10ClNO2S (267.01207500000004)
Benzenesulfonamide,N-(4-chlorophenyl)-
C12H10ClNO2S (267.01207500000004)
1-(4-CHLORO-3-NITROPHENYL)PROPAN-1-ONE
C13H14ClNO3 (267.06621640000003)
5-(4-Methyl-[1,1-biphenyl]-4-yl)-1,3,4-thiadiazol-2-amine
5-BROMO-2H-SPIRO[BENZOFURAN-3,4-PIPERIDINE]
C12H14BrNO (267.02586940000003)
2-Naphthalenesulfonicacid, 5-amino-6-ethoxy-
C12H13NO4S (267.05652580000003)
4-[(3,5-Dimethyl-4-isoxazolyl)methoxy]-2,6-difluorobenzenemethanol
3-(3,5-DICHLOROPHENOXY)BENZYLAMINE
C13H11Cl2NO (267.02176560000004)
3-amino-1-cyclopropyl-6,7-difluoro-8-methylquinazoline-2,4-dione
Alagebrium chloride
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
Ferrate(3-),amminepentakis(cyano-C)-, ammonium disodium, (OC-6-22)- (9CI)
2-Chloro-4-trimethylsilanylethynyl-nicotinic acid methyl ester
Propenidazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-Naphthalenecarboxylicacid, 4-(aminosulfonyl)-1-hydroxy-
Zonisamide N,N-Dimethylformimidamide
C11H13N3O3S (267.06775880000004)
8-fluoro-2-phenylquinoline-4-carboxylic acid
C16H10FNO2 (267.06955320000003)
8-oxo-7-phenylpyrido[2,3-d]pyridazine-5-carboxylic acid
4-(3,4-DIFLUOROPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID
2-(2-fluorophenyl)quinoline-4-carboxylic acid
C16H10FNO2 (267.06955320000003)
alpha-bromo-4-(1-pyrrolidino)acetophenone
C12H14BrNO (267.02586940000003)
2,6-Dichloro-N-(4-Methoxyphenyl) Benzenamine
C13H11Cl2NO (267.02176560000004)
Piridronic acid
C78275 - Agent Affecting Blood or Body Fluid > C2136 - Malignancy-Associated Hypercalcemia Inhibitor C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
4-(4-CHLOROPHENYL)-2-METHYL-1,3-THIAZOL-5-YL]ACETIC ACID
C12H10ClNO2S (267.01207500000004)
Methyl 5-(2-(methylamino)phenyl)-1H-pyrazole-3-carboxylate hydrochloride
5-BROMO-3H-SPIRO[BENZOFURAN-2,4-PIPERIDINE]
C12H14BrNO (267.02586940000003)
p-(p-Chlorophenylsulfonyl)aniline
C12H10ClNO2S (267.01207500000004)
dimethyl 2-(4-methoxycarbonylpyridin-3-yl)propanedioate
(R)-3-(4-BROMO-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE
C11H14BrN3 (267.03710240000004)
Methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
C12H10ClNO2S (267.01207500000004)
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-phenyl-
4-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazole
C13H14ClNO3 (267.06621640000003)
2-(4-Bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)-N-methylacetamide
4-(2,4-DIFLUOROPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID
(4-BROMOPHENYL)(2-FLUORO-4-HYDROXYPHENYL)METHANONE
C12H14BrNO (267.02586940000003)
ETHYL 2-(2-CHLOROPHENYL)THIAZOLE-4-CARBOXYLATE
C12H10ClNO2S (267.01207500000004)
2-(3-Chlorophenyl)-thiazole-4-carboxylic acid ethyl ester
C12H10ClNO2S (267.01207500000004)
2-(4-Chloro-phenyl)-thiazole-4-carboxylic acid ethyl ester
C12H10ClNO2S (267.01207500000004)
5-[2-(Trifluoromethoxy)phenyl]-3-pyridinecarbaldehyde
2-(4-CHLOROPHENYL)-2-PHENYLETHYLAMINE HYDROCHLORIDE
2,4-dichloro-5-phenylmethoxyaniline
C13H11Cl2NO (267.02176560000004)
Benzoic acid,4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
6-[2-(trifluoromethoxy)phenyl]-3-pyridinecarbaldehyde
5-(3-Chlorophenyl)-4-isobutyl-4H-1,2,4-triazole-3-thiol
methyl 2-(3-aminothiophen-2-yl)-5-hydroxy-4-oxo-1H-pyrimidine-6-carboxylate
7-trifluoromethoxy-2,3,4,5-tetrahydro-1h-benzo[b]azepine hydrochloride
2-(1-aminoethyl)-3-bromopyrido[1,2-a]pyrimidin-4-one
4-CHLORO-6,7-DIMETHOXY-QUINOLINE-3-CARBOXYLIC ACID
ethyl 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxylate
3-(4-chloro-3-nitrophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
6-[4-(Trifluoromethoxy)phenyl]-3-pyridinecarbaldehyde
3-(TRIFLUOROMETHYL)-N-(2,2-DIMETHOXYETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
C9H12F3N3O3 (267.08307179999997)
3-(THIOPHEN-2-YL)-3-(2,2,2-TRIFLUOROACETAMIDO)PROPANOIC ACID
C9H8F3NO3S (267.01769740000003)
4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
2-(alpha-D-Mannopyranosylthio)ethanimidic acid methyl ester
C9H17NO6S (267.07765420000004)
2-Imino-2-methoxyethyl-1-thio-beta-D-mannoside
C9H17NO6S (267.07765420000004)
2-(3-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
C12H14BrNO (267.02586940000003)
4-([(2-FURYLMETHYL)AMINO]METHYL)BENZOIC ACID HYDROCHLORIDE
C13H14ClNO3 (267.06621640000003)
Morpholine,2-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
4-(6-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDIN-4-YL)MORPHOLINE
C9H9ClF3N3O (267.03862100000003)
3-(2-bromoethyl)-5-methoxy-1-methylindole
C12H14BrNO (267.02586940000003)
Sulfatroxazole
C11H13N3O3S (267.06775880000004)
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
4-(3,4-dichlorophenyl)-5,6-dimethylpyrimidin-2-amine
C12H11Cl2N3 (267.03299860000004)
(3-BROMOPHENYL)(PIPERIDIN-1-YL)METHANONE
C12H14BrNO (267.02586940000003)
1-(2-ethyl-4-hydroxy-1,1-dioxo-1λ6,2-benzothiazin-3-yl)ethanone
C12H13NO4S (267.05652580000003)
ETHYL 4-CHLORO-5-ISOPROPYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
3-(carbamoylamino)-5-thiophen-3-ylthiophene-2-carboxamide
2-(METHYLSULFONYL)-1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]ETHANONE
C9H8F3NO3S (267.01769740000003)
3-[2-(trifluoromethyl)phenoxy]pyrrolidine,hydrochloride
3-Bromo-7-isopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
C11H14BrN3 (267.03710240000004)
6-[3-(Trifluoromethoxy)phenyl]-2-pyridinecarbaldehyde
Cenobamate
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics
3-C-Ethynylcytidine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite Ethynylcytidine (ECyD), a nucleoside analog and a potent inhibitor of RNA synthesis, inhibits RNA polymerases I, II and II. Ethynylcytidine has robust antitumor activity in a wide range of models of cancer[1][2][3]. Ethynylcytidine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Benzyl alcohol, o-chloro-alpha-((isopropylamino)methyl)-, hydrochloride, monohydrate
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Methyl 2-(chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
C13H14ClNO3 (267.06621640000003)
4-hexyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
6-(1,3-Benzoxazol-2-yl)-1,3-benzothiazol-2-amine
C14H9N3OS (267.04663039999997)
beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride
4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
(S)-2-Amino-4-[(2S,3R)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid
C9H17NO6S (267.07765420000004)
Methyl(2-acetoxy-2-(2-carboxy-4-amino-phenyl))acetate
3-deoxy-D-glycero-beta-D-galacto-nonulosonate
A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid
2-(alpha-D-mannosyl)-D-glycerate
Conjugate base of 2-(alpha-D-mannosyl)-D-glyceric acid
5-(4-Hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolane-3-carboxylate
4-(1-Oxidoethylideneamino)-5-oxo-5-phosphonooxypentanoate
1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea
1-[2-[(4-Chlorophenoxy)methyl]-4-thiazolyl]ethanone
C12H10ClNO2S (267.01207500000004)
Formononetin(1-)
A flavonoid oxoanion that is the conjugate base of formononetin, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
4-butyl-3-(5-ethyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
2-Methyl-5-(3-thiophenyl)-3,5-dihydropyrazolo[1,5-c]quinazoline
2-imino-2-methoxyethyl 1-thio-alpha-D-mannopyranoside
C9H17NO6S (267.07765420000004)
4-Methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid
(2S)-2-[2-(pyridine-4-carbonyl)hydrazinyl]pentanedioic acid
n-Butanal, o-[(pentafluorophenyl)methyl]oxime
C11H10F5NO (267.06825100000003)
2-Butanone O-[(pentafluorophenyl)methyl]oxime
C11H10F5NO (267.06825100000003)
(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethanamine
7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione
S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine
C9H17NO6S (267.07765420000004)
1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine
A glycerophosphoethanolamine compound having an alk-1-enyl substituent at the 1-position and an acyl substituent at the 2-position.
S-(5-deoxy-beta-D-ribos-5-yl)-L-homocysteine
C9H17NO6S (267.07765420000004)
An S-(5-deoxy-D-ribos-5-yl)-L-homocysteine in which the anomeric centre has beta-configuration.
(2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid
A 2,5-dihydro-1,3-thiazole carrying carboxy-, methyl- and (2-phosphonooxy)ethylidene-substituents at positions 2, 4 and 5 respectively.
S-(5-deoxy-D-ribos-5-yl)-L-homocysteine zwitterion
C9H17NO6S (267.07765420000004)
Zwitterionic form of S-(5-deoxy-D-ribos-5-yl)-L-homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
nitrososulfamethoxazole
A sulfonamide compound having a 4-nitrosophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom.
2-methyl-4,4-dioxo-n-phenyl-5,6-dihydro-1,4λ⁶-oxathiine-3-carboximidic acid
C12H13NO4S (267.05652580000003)
(3r,6s,8s)-6,8-dihydroxy-4,9-dioxa-2-azatricyclo[8.4.0.0³,⁸]tetradeca-1(10),11,13-triene-14-carboxylic acid
astone
{"Ingredient_id": "HBIN017208","Ingredient_name": "astone","Alias": "NA","Ingredient_formula": "C11H19Cl2NO2","Ingredient_Smile": "CC(C)NCC(C1=CC=CC=C1Cl)O.O.Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30631","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r)-2-hydroxy-3-(4-hydroxy-2-imino-6-oxo-1,5-dihydropteridin-7-yl)propanoic acid
2-amino-4-{[(3,4,5-trihydroxyoxolan-2-yl)methyl]sulfanyl}butanoic acid
C9H17NO6S (267.07765420000004)