Exact Mass: 321.11764360000006
Exact Mass Matches: 321.11764360000006
Found 451 metabolites which its exact mass value is equals to given mass value 321.11764360000006,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
S-Methyl GSH
S-Methylglutathione is an S-substitued?glutathione and a stronger nucleophile than GSH[1]. S-Methylglutathione has inhibitory effect on glyoxalase 1[2].
L-L-Homoglutathione
L-l-homoglutathione is a member of the class of compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. L-l-homoglutathione is practically insoluble (in water) and a moderately acidic compound (based on its pKa). L-l-homoglutathione can be found in pulses, which makes L-l-homoglutathione a potential biomarker for the consumption of this food product. L-L-Homoglutathione is found in pulses. L-L-Homoglutathione occurs in seeds of various legume
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin is a pterin derivative. Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring with Several tautomers; the pyrimidine ring has a carbonyl oxygen and an amino group. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring. Pterins were first discovered in the pigments of butterfly wings and perform many roles in coloration in the biological world. Pterins also function as cofactors in enzyme catalysis (Wikipedia). Some pterin derivatives (biopterin, 6-formylpterin, 6-carboxypterin) accumulate in the skin of patients affected by vitiligo, a depigmentation disorder, where the protection against UV radiation fails due to the lack of melanin. Pterins participate in biologically important photosensitization processes; for example, pterins act as sensitizers in photochemical reactions that induce DNA damage4,5 and are able to generate singlet molecular oxygen6 and other reactive oxygen species (PMID: 19199487). 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin is a pterin derivative. Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring with Several tautomers; the pyrimidine ring has a carbonyl oxygen and an amino group. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring. Pterins were first discovered in the pigments of butterfly wings and perform many roles in coloration in the biological world. Pterins also function as cofactors in enzyme catalysis .
Acronine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product An alkaloid antineoplastic agent isolated from Acronychia baueri. D000970 - Antineoplastic Agents C1907 - Drug, Natural Product Same as: D02378
6-Oxoparomamine
C12H23N3O7 (321.15359279999996)
Beta-Citryl-L-glutamic acid
beta-Citryl-L-glutamic acid (beta-CG) is a derivative of glutamic acid. beta-CG which is known to occur in the brain, have been isolated from human urine. [HMDB] beta-Citryl-L-glutamic acid (beta-CG) is a derivative of glutamic acid. beta-CG which is known to occur in the brain, have been isolated from human urine.
7-Demethylmitomycin B; 6-Demethylmitomycin B
Pyriproxyfen
CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10357; ORIGINAL_PRECURSOR_SCAN_NO 10352 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10314; ORIGINAL_PRECURSOR_SCAN_NO 10312 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10325; ORIGINAL_PRECURSOR_SCAN_NO 10324 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10287; ORIGINAL_PRECURSOR_SCAN_NO 10284 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10340; ORIGINAL_PRECURSOR_SCAN_NO 10338 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10362; ORIGINAL_PRECURSOR_SCAN_NO 10360 CONFIDENCE standard compound; INTERNAL_ID 2633 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
famciclovir
2-Amino-9H-purine in which the hydrogen at position 9 is substituted by a 4-acetoxy-3-(acetoxymethyl)but-1-yl group. A prodrug of the antiviral penciclovir, it is used for the treatment of acute herpes zoster (shingles), for the treatment or suppression of recurrent genital herpes in immunocompetent patients and for the treatment of recurrent mucocutaneous herpes simplex infections in HIV infected patients. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Famciclovir (BRL 42810) is an orally active nucleoside analogue. Famciclovir is an antiviral agent with potent activities against HBV, HSV and VZV. Famciclovir can be used for the research of herpesvirus infection[1].
Famciclovir
Famciclovir is a guanine analogue antiviral drug used for the treatment of various herpes virus infections, most commonly for herpes zoster (shingles). It is a prodrug form of penciclovir with improved oral bioavailability. Famciclovir is marketed under the trade name Famvir (Novartis). J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Famciclovir (BRL 42810) is an orally active nucleoside analogue. Famciclovir is an antiviral agent with potent activities against HBV, HSV and VZV. Famciclovir can be used for the research of herpesvirus infection[1].
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone is found in herbs and spices. 2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone is an alkaloid from Ruta graveolens (rue
Cepharadione B
C19H15NO4 (321.10010300000005)
Cepharadione B is found in herbs and spices. Cepharadione B is an alkaloid from the woody roots of Piper auritum (Veracruz pepper
S-Glutaryldihydrolipoamide
S-Glutaryldihydrolipoamide is involved in the lysine degradation pathway. S-Glutaryldihydrolipoamide can be irreversibly created from 2-Oxoadipate by 2-oxoglutarate dehydrogenase E1 component [EC:1.2.4.2]. S-Glutaryldihydrolipoamide can be reversibly created from Glutaryl-CoA by 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide. succinyltransferase) [EC:2.3.1.61]. S-Glutaryldihydrolipoamide is involved in the lysine degradation pathway. S-Glutaryldihydrolipoamide can be irreversibly created from 2-Oxoadipate by 2-oxoglutarate dehydrogenase E1 component [EC:1.2.4.2]. S-Glutaryldihydrolipoamide can be reversibly created from Glutaryl-CoA by 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide
Niazirinin
Niazirinin is a nitrile glycoside that has been isolated from the leaves of Moringa oleifera (horseradish tree). Niazirin is found in brassicas. Constituent of the leaves of the horseradish tree (Moringa oleifera, Moringaceae). Niazirinin is found in brassicas.
N-desmethylalmotriptan
N-desmethylalmotriptan is a metabolite of almotriptan. Almotriptan, is a triptan drug discovered and developed by Almirall for the treatment of heavy migraine headache. It is available in 12.5 mg in most countries and also 6.25 mg in US and Canada. (Wikipedia)
(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine
C13H23NO6S (321.12460180000005)
(2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is an acylcarnitine. More specifically, it is an (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2-Amino-5-((1-((carboxymethyl)amino)-3-(methylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid
4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[CD]azulene-1-thione
C16H20ClN3S (321.10663900000003)
Calcein Blue
C15H15NO7 (321.08484799999997)
Carboquone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
N-Methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
Diclofensine
C17H17Cl2NO (321.06871320000005)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
5-((1-Ethyl-4-piperidinyl)oxy)-9H-pyrrolo(2,3-b:5,4-c')dipyridine-6-carbonitrile
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
Vipadenant
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester
indole-3-acetyl-phenylalanine
C19H17N2O3 (321.12391120000007)
Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.
Menisporphine
C19H15NO4 (321.10010300000005)
Menisporphine is a natural product found in Menispermum dauricum with data available.
S-Methylglutathione
S-Methylglutathione is an S-substitued?glutathione and a stronger nucleophile than GSH[1]. S-Methylglutathione has inhibitory effect on glyoxalase 1[2].
dimethenamide ESA
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. CONFIDENCE standard compound; EAWAG_UCHEM_ID 260 CONFIDENCE standard compound; INTERNAL_ID 2041
Pyriproxyfen
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Diclofensine
C17H17Cl2NO (321.06871320000005)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
2-[4-(Diethylamino)styryl]-5-nitrobenzonitrile
C19H19N3O2 (321.14771939999997)
N-Benzyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)urea
C19H19N3O2 (321.14771939999997)
4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
C19H19N3O2 (321.14771939999997)
Dehydrohistidyl-tryptophanyl-diketopiperazine
CONFIDENCE Penicillium bissettii
6-Hydroxyquinoline glucuronide|O1-[6]Chinolyl-beta-D-glucopyranuronsaeure|O1-[6]quinolyl-beta-D-glucopyranuronic acid
C15H15NO7 (321.08484799999997)
O1-[7]Chinolyl-beta-D-glucopyranuronsaeure|O1-[7]quinolyl-beta-D-glucopyranuronic acid
C15H15NO7 (321.08484799999997)
3-(2,3-Dihydroxy-3-methylbutyl)-4,7-dimethoxy-1-methyl-1H-quinoline-2-one
7-methyl-6,7-dihydro-5H-bis([1,3]dioxolo[4,5:4,5]benzo)[1,2,3-de;1,2-g]quinoline|Aporphin|Dehydroneolitsine
C19H15NO4 (321.10010300000005)
3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid
C15H15NO7 (321.08484799999997)
(E)-L-alpha-glutamyl-N-[2-(4-hydroxyphenyl)ethenyl]glycinamide|(S)-(E)-form-Glutamylglycyl-4-hydroxystyrylamine|L-Glu-Gly-4-hydroxystyrylamine
O1-[5]Chinolyl-beta-D-glucopyranuronsaeure|O1-[5]quinolyl-beta-D-glucopyranuronic acid
C15H15NO7 (321.08484799999997)
(-)-sessilifoliamide J|(?)-sessilifoliamide J|sessilifoliamide J
(3-endo,8-anti)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-3,5-dimethoxybenzoate|pungencine
O1-[3]Chinolyl-beta-D-glucopyranuronsaeure|O1-[3]quinolyl-beta-D-glucopyranuronic acid
C15H15NO7 (321.08484799999997)
NSC 663284
C15H16ClN3O3 (321.08801359999995)
1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)-
L-L-Homoglutathione
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
Cepharadione B
C19H15NO4 (321.10010300000005)
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
(z)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
Arginine glutamate
A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05B - Liver therapy, lipotropics > A05BA - Liver therapy L-Arginine L-glutamate ((S)-(+)-Arginine L-glutamate) is the nitrogen donor for synthesis of nitric oxide. L-Arginine L-glutamate can be used for upper gastrointestinal hypofunction or dysfunction like functional dyspepsia research[1]. L-Arginine L-glutamate ((S)-(+)-Arginine L-glutamate) is the nitrogen donor for synthesis of nitric oxide. L-Arginine L-glutamate can be used for upper gastrointestinal hypofunction or dysfunction like functional dyspepsia research[1].
4-[(4-Amino-5-methoxy-2-methylphenyl)azo]benzenesulfonic acid
diethyl 5-chloro-8-methylquinoline-2,3-dicarboxylate
diethyl 6-chloro-8-methylquinoline-2,3-dicarboxylate
Methyl 3-(2,6-difluorophenylcarbamoyl)-4-Methoxybenzoate
C16H13F2NO4 (321.08126020000003)
Cinnamyl-3,4-dihydroxy-α-cyanocinnamate
C19H15NO4 (321.10010300000005)
Cinnamyl-3,4-dihydroxy-α-cyanocinnamate (CDC) is a potent 12/15-Lipoxygenases (LO) inhibitor. Cinnamyl-3,4-dihydroxy-α-cyanocinnamate has the potential for the research of type 1 diabetes mellitus[1].
N-BOC-BETA-ALANINE-BETA-4-METHOXYPHENYL-N-CARBOXYANHYDRIDE
DIETHYL 6-ACETYL-5,6-DIHYDROPYRIDO[3,4-B]PYRAZINE-7,7(8H)-DICARBOXYLATE
tert-butyl 3-(5-bromopentoxy)azetidine-1-carboxylate
C13H24BrNO3 (321.09394540000005)
2-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride
C14H25BrClN (321.08587800000004)
3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride
C14H25BrClN (321.08587800000004)
hydromorphone hydrochloride
C17H20ClNO3 (321.1131640000001)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
BENZYL 2-BENZYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
4-chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
Fengabine
C17H17Cl2NO (321.06871320000005)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(dimethyl)[10H-pyrido[3,2-b][1,4]benzothiazine-10-propyl]ammonium chloride
C16H20ClN3S (321.10663900000003)
(9H-FLUOREN-9-YL)METHYL-3-OXOPIPERIDINE-1-CARBOXYLATE
(4-(N-(4-METHOXYBENZYL)SULFAMOYL)PHENYL)BORONIC ACID
C14H16BNO5S (321.08421960000004)
4-Imidazolidinone,5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxo-
C18H15N3OS (321.09357800000004)
(E)-1-(3-(2-(7-CHLOROQUINOLIN-2-YL)VINYL)PHENYL)PROP-2-EN-1-OL
C20H16ClNO (321.09203560000003)
Methyl 4-(4-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylate
(3-(N-(4-METHOXYBENZYL)SULFAMOYL)PHENYL)BORONIC ACID
C14H16BNO5S (321.08421960000004)
1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-NAPHTHALENE
C19H15NO2S (321.08234500000003)
4-{[1-(tert-Butoxycarbonyl)piperidin-4-yl]oxy}benzoic acid
Phenyl[2-phenylthio)phenyl]carbamate
C19H15NO2S (321.08234500000003)
N-[(DIPHENYLPHOSPHINYL)METHYL]-N-METHYLANILINE
C20H20NOP (321.12824400000005)
Isocyano(2-naphthyl)methyl 4-methylphenyl sulfone
C19H15NO2S (321.08234500000003)
tert-butyl 2-amino-3-(4-methoxy-3,4-dioxobutanoyl)benzoate
2-BOC-AMINO-6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID
1H-Benzo[a]cyclopenta[f]quinolizinium,2,3,3a,5,6,11,12,12a-octahydro-8-hydroxy-, bromide (1:1)
C16H20BrNO (321.07281700000004)
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate
C17H17F2NO3 (321.11764360000006)
(Z)-1-Phenyl-2-(phthalimidomethyl)cyclopropanecarboxylic acid
C19H15NO4 (321.10010300000005)
N,N-DIMETHYL-N-(1-HEXYL)-N-(2-[METHACRYLOYL]ETHYL)AMMONIUM BROMIDE
C14H28BrNO2 (321.13032880000003)
4-(4-nitrobenzoyloxy)-2,2,6,6-tetramethyl-1-piperidinyloxy
1-(3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine
C17H25BClNO2 (321.16667700000005)
3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
4-chloro-N-(2-hydroxyethyl)-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]benzamide
1-Benzyl-3-(2,2,2-trifluoro-acetyl)piperidin-4-one HCl
3-(4-OXO-3,4-DIHYDROPYRIDO[3,2:4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENYL ACETATE
1H-Indole-2-propanoic acid, 3-[(1,1-dimethylethyl)thio]-5-methoxy-methyl ester
4-(2-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
4-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
METHYL 5-AMINO-2-(4-NITRO-1-OXOISOINDOLIN-2-YL)-5-OXOPENTANOATE
ETHYL 8-ALLYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
8-METHYL-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINEHYDROCHLORIDE
(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid
Isothipendyl hydrochloride
C16H20ClN3S (321.10663900000003)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-Chloro-6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline
TRANS-1-BOC-3-CARBOXY-4-(4-METHOXYPHENYL)PYRROLIDINE
3-AMINO-6-((DIBENZYLAMINO)METHYL)-1,2,4-TRIAZIN-5(2H)-ONE
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
3-(2-(1,3-DIOXOLAN-2-YL)ETHYL)-7,8-DIMETHOXY-4,5-DIHYDRO-1H-BENZO[D]AZEPIN-2(3H)-ONE
Hydrazinecarbothioamide, 2-[(2-hydroxyphenyl)methylene]-N-1-naphthalenyl-
C18H15N3OS (321.09357800000004)
N-[(2-HYDROXY-NAPHTHALEN-1-YL)-(4-METHOXY-PHENYL)-METHYL]-ACETAMIDE
9H-fluoren-9-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
C19H15NO4 (321.10010300000005)
(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone
N-cyclopentyl-5-(2,4-dichlorophenyl)-2-methylpyrimidin-4-amine
C16H17Cl2N3 (321.07994620000005)
tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethylcarbamate
1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
C16H16FNO5 (321.10124579999996)
4-methoxy-3-(3-morpholinopropoxy)-2-nitrobenzonitrile
2-amino-4-cyclohexyl-3-nitro-6-phenylbenzonitrile
C19H19N3O2 (321.14771939999997)
Methyl 2-(Boc-amino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetate
C13H23NO6S (321.12460180000005)
N-[1,1-Bis[(acetyloxy)methyl]-3-phenylpropyl]acetamide
3-(n-benzylsulfamoyl)-4-methoxyphenylboronic acid
C14H16BNO5S (321.08421960000004)
2-TERT-BUTOXYCARBONYLAMINO-5-TRIFLUOROMETHOXY-BENZOIC ACID
(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid
4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[CD]azulene-1-thione
C16H20ClN3S (321.10663900000003)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
Ampreloxetine
C78272 - Agent Affecting Nervous System Ampreloxetine (TD-9855) is a potent and orally active norepinephrine (NE) and serotonin 5-HT inhibitor. Ampreloxetine has the potential for the research of neurogenic orthostatic hypotension[1][2].
Tivirapine
C16H20ClN3S (321.10663900000003)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
9-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
C16H20ClN3S (321.10663900000003)
(E)-1-(2-hydroxyphenyl)-3-((1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-one
C19H19N3O2 (321.14771939999997)
N-[5-(2-phenylethyl)-1,3,5-triazinan-2-ylidene]-1,3-benzoxazol-2-amine
(Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-phenylallylidene)benzofuran-3(2H)-one
N-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]furan-2-carboxamide
6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
C19H19N3O2 (321.14771939999997)
1-[(1,3-Benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide
C15H19N3O3S (321.11470640000005)
1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-one
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
C15H19N3O3S (321.11470640000005)
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
2-[(2-Oxo-2-piperidin-1-ylethyl)thio]-6-(trifluoromethyl)pyrimidin-4(1H)-one
C12H14F3N3O2S (321.07587800000005)
6-(3-Aminopropyl)-4,9-dimethylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
C19H19N3O2 (321.14771939999997)
3-({2-[(2-Amino-6-methylpyrimidin-4-YL)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}hexopyranose
Vipadenant
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
carboquone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
6-Chloro-7-(2-morpholin-4-yl-ethylamino)quinoline-5,8-dione
C15H16ClN3O3 (321.08801359999995)
N-Methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
indole-3-acetyl-phenylalanine
C19H17N2O3- (321.12391120000007)
Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.
N-[(R)-pantothenoyl]-L-cysteinate
C12H21N2O6S- (321.11202660000004)
Conjugate base of N-[(R)-pantothenoyl]-L-cysteine.
2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose(1-)
(indol-3-yl)acetyl-L-phenylalanine
C19H17N2O3- (321.12391120000007)
5-Methyl-9-(3-methylbut-2-enyl)-7-oxophenazine-1-carboxylate
C19H17N2O3- (321.12391120000007)
2,4-Diamino-6-methyl-5,3-(3-nitrophenoxy)prop-1-yloxypyrimidine
(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradecane-5,9,12,13,14-pentol
(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine
C13H23NO6S (321.12460180000005)
morphine hydrochloride
C17H20ClNO3 (321.1131640000001)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione
C15H19N3O3S (321.11470640000005)
3-nitro-N-[(1E)-quinoxalin-6-ylmethylene]benzohydrazide
4-[1-[(3-Methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
1-[2-(Hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol
C19H19N3O2 (321.14771939999997)
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
C18H15N3O3 (321.11133600000005)
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
5-{[5-(diethylamino)-2-furyl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
C15H19N3O3S (321.11470640000005)
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide
C15H19N3O3S (321.11470640000005)
2-amino-3-cyano-7-(dimethylamino)-4-(2-methoxyphenyl)-4H-chromene
C19H19N3O2 (321.14771939999997)
2-{[1-(4-Methoxy-phenyl)-eth-(E)-ylidene]-hydrazono}-4-oxo-[1,3]thiazinane-6-carboxylic acid
4-cyano-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]benzamide
3-[[Oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl ester
C18H15N3O3 (321.11133600000005)
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide
3-Amino-6-cyclopropyl-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinecarbonitrile
C18H15N3OS (321.09357800000004)
N-(2-acetylphenyl)-2-(2-oxo-1-quinoxalinyl)acetamide
C18H15N3O3 (321.11133600000005)
2-[(1-Oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanone
C19H15NO2S (321.08234500000003)
N(6)-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
A D-lysine derivative in which D-lysine is substituted on N(6) by a (2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl group.
3,3,3-Trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoic acid methyl ester
N-[3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-2-furancarboxamide
C18H15N3O3 (321.11133600000005)
5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide
1-[2-(3,4-Dimethoxyphenyl)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-benzofurancarboxamide
C18H15N3O3 (321.11133600000005)
1-(2,5-Dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(1-phthalazinyloxy)ethanone
C19H19N3O2 (321.14771939999997)
(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydron;chloride
C17H20ClNO3 (321.1131640000001)
4-hydroxy-2-oxo-1-prop-2-enyl-N-(3-pyridinyl)-3-quinolinecarboxamide
C18H15N3O3 (321.11133600000005)
6-(3-furanyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
C18H15N3OS (321.09357800000004)
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-(7-chloro-2-methyl-4-thiazolo[5,4-b]indolyl)-N,N-diethylethanamine
C16H20ClN3S (321.10663900000003)
methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]acetate
N-{5-fluoro-1-[2-(morpholin-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide
C16H20FN3O3 (321.14886220000005)
1,3-Bis[4-(dimethylamino)phenyl]-2,4-dioxylatocyclobutene-3,4-diylium
N-[(4S)-4-azaniumyl-4-carboxylatobutanoyl]-S-methyl-L-cysteinylglycine
2-[(1R,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-naphthalen-2-yl-2-(7H-purin-1-ium-6-ylsulfanyl)ethanone
N-[[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]formamide
C13H15N5O5 (321.10731400000003)
N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-4-methyl-5-isoquinolinesulfonamide
C15H19N3O3S (321.11470640000005)
4-[(5-Methylpyrazolidin-3-YL)amino]-2-phenylphthalazin-1-one
4-methyl-5-[(2S)-2-methyl-1,4-diazepan-4-ium-1-sulfonyl]isoquinolin-2-ium
N-[[1-(1,2-difluoroethyl)triazol-4-yl]methyl]-N-(2-fluoroethyl)pentanediamide
(3E)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
C19H19N3O2 (321.14771939999997)
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin
beta-Citrylglutamic acid
An N-acyl-L-glutamic acid in which the acyl group is specified as beta-citryl.
Asenapine (hydrochloride)
C17H17Cl2NO (321.06871320000005)
Asenapine hydrochloride, an antipsychotic, is a 5-HT (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) and Dopamine (D2, D3, D4) receptor antagonist with Ki values of 0.03-4.0 nM for 5-HT and 1.3, 0.42, 1.1 nM for Dopamine receptor, respectively.
CMS-121
CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage with EC50 values of 7 nM and 200 nM, respectively. CMS-121 has strong neuroprotective, anti-inflammatory, antioxidative and renoprotective activities[1][2][3].
[(8r,9r,10r,12r)-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.0²,⁷.0¹⁰,¹²]tetradeca-2,4,6-trien-8-yl]methoxycarboximidic acid
5-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6-methylidene-1h-pyrazin-2-one
C19H19N3O2 (321.14771939999997)
5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaene
C19H15NO4 (321.10010300000005)
11,12,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
C19H15NO4 (321.10010300000005)
(3z)-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6-methylidenepyrazine-2,5-diol
C19H19N3O2 (321.14771939999997)
(1s,3e,5r)-3-[2-(2-hydroxy-6-oxo-4,5-dihydro-3h-pyridin-4-yl)ethylidene]-1,5-dimethyl-4-oxocyclohexyl acetate
(4s)-4-amino-4-[({[(1e)-2-(4-hydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butanoic acid
17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),2,4(8),9,14,17,19-heptaen-16-one
C19H15NO4 (321.10010300000005)
(1s,4s)-4-benzyl-1,3-dihydroxy-1h,4h-pyrazino[2,1-b]quinazolin-6-one
C18H15N3O3 (321.11133600000005)
3-[2-(dimethylamino)phenyl]-3-hydroxy-1h,2h-pyrrolo[2,1-b]quinazolin-9-one
C19H19N3O2 (321.14771939999997)
(1r,4e)-4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
14,15-dimethoxy-10-methyl-16-oxo-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,10,12,14-octaen-10-ium-8-olate
C19H15NO4 (321.10010300000005)
[(3s)-3,5-dimethyl-11h-pyrano[3,2-a]carbazol-3-yl]methyl acetate
10-{[2-(4-hydroxyphenyl)ethyl]imino}-7-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-trien-11-one
C19H19N3O2 (321.14771939999997)