Exact Mass: 461.06172560000005
Exact Mass Matches: 461.06172560000005
Found 87 metabolites which its exact mass value is equals to given mass value 461.06172560000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
SM-17466
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Cyanidin 3-O-(6'-acetyl-arabinoside)
C22H21O11+ (461.10838160000003)
Cyanidin 3-O-(6-acetyl-arabinoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Lactofen
C19H15ClF3NO7 (461.04891060000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate
C22H21Cl2N3O4 (461.09090460000004)
Prulifloxacin
C21H20FN3O6S (461.10567920000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
LACTOFEN
C19H15ClF3NO7 (461.04891060000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Cyanidin 3-O-(6-acetyl-arabinoside)
C22H21O11 (461.10838160000003)
(6-acetyloxy-5-nitro-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) acetate
C24H15NO9 (461.07467800000006)
Vonoprazan Fumarate
C21H20FN3O6S (461.10567920000005)
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
SPA-S 510
C24H19N3O5S (461.1045364000001)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
Prulifloxacin
C21H20FN3O6S (461.10567920000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Sodium alum
AlH27NaO20S2 (461.02501920000003)
Food additive in baking powder, firming agent, buffer. May migrate to food from paper/board packaging
AZD8330
C16H17FIN3O4 (461.02478040000005)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor AZD8330 (ARRY-424704) is a potent, uncompetitive MEK1/MEK2 inhibitor, with an IC50 of 7 nM.
9-(4-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate
C21H19NO9S (461.07804840000006)
(-)-Bicuculline methobromide
C21H20BrNO6 (461.04739200000006)
(-)-Bicuculline methobromide (l-Bicuculline methobromide) is a potent GABAA receptor antagonist. (-)-Bicuculline methobromide blocks afterhyperpolarizations (AHPs) mediated by Ca2+-activated K+ channels in various types of neurons[1]. (-)-Bicuculline methobromide (l-Bicuculline methobromide) is a potent GABAA receptor antagonist. (-)-Bicuculline methobromide blocks afterhyperpolarizations (AHPs) mediated by Ca2+-activated K+ channels in various types of neurons[1].
[1,2]benzisothiazolo[2,3,4-lma]benzo[h]quinoxalino[2,3-c]carbazole-11,16-dione 9,9-dioxide
C26H11N3O4S (461.04702460000004)
3-Hexyl-1,2-dimethyl-1H-imidazol-3-ium bis[(trifluoromethyl)sulfonyl]azanide
C13H21F6N3O4S2 (461.08776180000007)
ethyl 5-acetoxy-6-broMo-1-Methyl-2-(phenylthioMethyl)-1H-indole-3-carboxylate
C21H20BrNO4S (461.0296340000001)
3,6-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9-[9H]xanthen]-3-one
C24H15NO9 (461.07467800000006)
MK-5108
C22H21ClFN3O3S (461.0976118000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
(2r)-2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}propene-1-Sulfonamide
C18H24ClN3O5S2 (461.08458440000004)
4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide
C21H15ClF3N5O2 (461.08663160000003)
5-O-(L-Alpha-Aspartylsulfamoyl)adenosine
Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme. Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme.
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate
C22H21Cl2N3O4 (461.09090460000004)
(E)-2-(4-fluorophenyl)sulfonyl-3-[1-(3-nitrophenyl)sulfonylpyrrol-2-yl]prop-2-enenitrile
C19H12FN3O6S2 (461.01515440000003)
[3-(2-Chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
C25H20ClN3O2S (461.09646900000007)
(1R)-2-[(Cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
2-({[2,3,5,6-Tetrafluoro-3-(Trifluoromethoxy)biphenyl-4-Yl]amino}carbonyl)cyclopenta-1,3-Diene-1-Carboxylic Acid
C20H10F7NO4 (461.0498024000001)
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate(2-)
Isoscoparin-7-olate
C22H21O11- (461.10838160000003)
The 7-oxoanion of isoscoparin.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2,4-diamino-4-oxobutanoate
C14H20N7O9P (461.10600800000003)
3-[[4-(2,6-Difluoro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]aniline
Cefamandole(1-)
C18H17N6O5S2- (461.07018120000004)
A cephalosporin carboxylate anion having (R)-mandelamido and N-methylthiotetrazole side-groups.
3-L-asparaginyl-AMP
C14H20N7O9P (461.10600800000003)
An L-asparaginyl derivative that is the ester obtained by formal condensation of the carboxy group of L-asparagine with the 3-hydroxy group of AMP.
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide
C18H21ClFN3O4S2 (461.06459880000006)
1-[4-Chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)urea
C21H20ClN3O5S (461.0812140000001)
N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
2-[(5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide
C24H19N3O5S (461.1045364000001)
3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(phenylsulfonyl)propanehydrazide
C20H19N3O4S3 (461.0537654000001)
2-[4-(2-Thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
2-(2-Chloro-6-fluoro-phenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one
C25H17ClFN3OS (461.07648340000003)
1-(4-Chlorophenyl)-6-[(4-methylphenyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
C23H16ClN5O2S (461.07131860000004)
(5R)-5-(3,5-dichloro-4-fluorophenyl)-3-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
C19H14BCl2F4NO3 (461.0379872000001)
N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
C20H19N3O6S2 (461.07152340000005)
luteolin 7-O-beta-D-glucosiduronate
A carbohydrate acid derivative anion that is the conjugate base of luteolin 7-O-beta-D-glucosiduronic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Cyanidin 3-O-(6-acetyl-arabinoside)
C22H21O11+ (461.10838160000003)
B-Raf IN 2
C20H17F2N5O4S (461.0969266000001)
B-Raf IN 2 is a potent and selective BRAF inhibitor extracted from patent WO2021116055A1, compound Ia. B-Raf IN 2 can be used for the research of cancer[1].
FAUC 365
FAUC 365 is a highly dopamine D3 receptor-selective antagonist with Ki values of 0.5 nM, 340, 2600, and 3600 nM at D3, D4.4, D2short, and D2Long receptors, respectively. FAUC 365 can be used for the research of schizophrenia, and Parkinson's disease[1][2].
(2r,4s)-5,5-dichloro-2-[(3s)-4,4-dichloro-n,3-dimethylbutanamido]-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid
1-(3,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)ethyl]-7,8-dihydroxychromeno[3,4-b]pyrrol-4-one
C25H19NO8 (461.11106140000004)
bicuculine
C21H20BrNO6 (461.04739200000006)
{"Ingredient_id": "HBIN018402","Ingredient_name": "bicuculine","Alias": "NA","Ingredient_formula": "C21H20BrNO6","Ingredient_Smile": "C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37015","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}