Exact Mass: 269.089933
Exact Mass Matches: 269.089933
Found 500 metabolites which its exact mass value is equals to given mass value 269.089933,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Acetochlor
CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9499; ORIGINAL_PRECURSOR_SCAN_NO 9495 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9451; ORIGINAL_PRECURSOR_SCAN_NO 9447 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9445; ORIGINAL_PRECURSOR_SCAN_NO 9442 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9479; ORIGINAL_PRECURSOR_SCAN_NO 9474 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9585; ORIGINAL_PRECURSOR_SCAN_NO 9582 CONFIDENCE standard compound; INTERNAL_ID 1174; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9473; ORIGINAL_PRECURSOR_SCAN_NO 9469 CONFIDENCE standard compound; EAWAG_UCHEM_ID 104 CONFIDENCE standard compound; INTERNAL_ID 8482 CONFIDENCE standard compound; INTERNAL_ID 3221 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Alachlor
CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9585; ORIGINAL_PRECURSOR_SCAN_NO 9582 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9550; ORIGINAL_PRECURSOR_SCAN_NO 9545 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9510 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9542; ORIGINAL_PRECURSOR_SCAN_NO 9539 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9490; ORIGINAL_PRECURSOR_SCAN_NO 9488 CONFIDENCE standard compound; INTERNAL_ID 803; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9540; ORIGINAL_PRECURSOR_SCAN_NO 9537 Selective preemergent herbicide used on food crop CONFIDENCE standard compound; EAWAG_UCHEM_ID 274 CONFIDENCE standard compound; INTERNAL_ID 3225 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Methyl red
D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9367; ORIGINAL_PRECURSOR_SCAN_NO 9363 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9443; ORIGINAL_PRECURSOR_SCAN_NO 9441 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9445; ORIGINAL_PRECURSOR_SCAN_NO 9443 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9467; ORIGINAL_PRECURSOR_SCAN_NO 9462 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9471; ORIGINAL_PRECURSOR_SCAN_NO 9469 CONFIDENCE standard compound; INTERNAL_ID 502; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9503; ORIGINAL_PRECURSOR_SCAN_NO 9501
2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile
Disperse yellow 3
D004396 - Coloring Agents
Histidylasparagine
C10H15N5O4 (269.11239900000004)
Histidylasparagine is a dipeptide composed of histidine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Asparaginylhistidine
C10H15N5O4 (269.11239900000004)
Asparaginylhistidine is a dipeptide composed of asparagine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Sulfamethoxazole N4-hydroxylamine
Sulfamethoxazole N4-hydroxylamine is a metabolite of Sulfamethoxazole. Sulfamethoxazole n4-hydroxylamine belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
5-Hydroxysulfamethoxazole
5-Hydroxysulfamethoxazole belongs to the family of Aminophenol Derivatives. 5-Hydroxysulfamethoxazole is a metabolite of Sulfamethoxazole. Sulfamethoxazole (abbreviated SMZ or SMX) is a sulfonamide bacteriostatic antibiotic.
Tacedinaline
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
2-Amino-6-chloro-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine
4-[[4-(Dimethylamino)phenyl]diazenyl]benzoic acid
5-(2-Propoxyphenyl)-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
7,8-Dihydro-2'-deoxyguanosine
C10H15N5O4 (269.11239900000004)
Alinidine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Declopramide
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent C1744 - Multidrug Resistance Modulator
Endralazine
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen
Lagociclovir
C10H12FN5O3 (269.09241340000005)
(2S)-1-[2-[[(2S)-Pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic Acid
1,2-Disehydronorcoclaurine
1,2-disehydronorcoclaurine is a member of the class of compounds known as benzylisoquinolines. Benzylisoquinolines are organic compounds containing an isoquinoline to which a benzyl group is attached. 1,2-disehydronorcoclaurine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1,2-disehydronorcoclaurine can be found in custard apple, which makes 1,2-disehydronorcoclaurine a potential biomarker for the consumption of this food product.
Histidinyl-Asparagine
C10H15N5O4 (269.11239900000004)
4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
2-Deoxyadenosine monohydrate
C10H15N5O4 (269.11239900000004)
2'-Deoxyadenosine monohydrate is a deoxyribonucleoside. A building block in the chemical synthesis. 2'-Deoxyadenosine monohydrate is a deoxyribonucleoside. A building block in the chemical synthesis.
6-Me ether,O-Ac-1,6-Dihydroxy-3-methyl-9H-carbazole
Dichotomide IX
C14H11N3O3 (269.08003759999997)
A natural product found in Stellaria dichotoma var. lanceolata.
9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol
Dichotomide VI
C14H11N3O3 (269.08003759999997)
A beta-carboline alkaloid that is 9H-beta-carboline substituted by acetyl group at position 1, a hydroxy group at position 8 and an aminocarbonyl at position 3. It has been isolated from Stellaria dichotoma var. lanceolata.
2-(alpha-L-rhamnopyranosyloxy)-benzylamine|o-(alpha-L-Rhamnopyranosyloxy)-benzylamin
2-(2-(2-aminoacetamido)-3-(1H-imidazol-4-yl) propanamido)acetic acid
C10H15N5O4 (269.11239900000004)
C13H19NO5_1,3-Dioxolo[4,5-c]pyridin-4(5H)-one, 2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl
2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl-5H-[1,3]dioxolo[4,5-c]pyridin-4-one
Sulfamethoxazole N4-hydroxylamine
Asn-his
C10H15N5O4 (269.11239900000004)
A dipeptide composed of L-asparagine and L-histidine joined by a peptide linkage.
His-asn
C10H15N5O4 (269.11239900000004)
ETHYL 2-CYANO-3-[4-(TRIFLUOROMETHYL)PHENYL]ACRYLATE
3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
6-(CHLOROMETHYL)-4-(3-METHOXYPROPYL)-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
1-(4-Piperidinyl)-2-(Trifluoromethyl)-1H-Benzimidazole
C13H14F3N3 (269.11397600000004)
5-Methoxy-9-oxo-9,10-dihydroacridine-4-carboxylic acid
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
(+)-3-Hydroxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
3-(1H-BENZOIMIDAZOL-2-YL)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YLAMINE
2-Chloro-6-methoxypyridine-4-boronic acid pinacol ester
3-BENZYL-1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
2-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
4-CARBOXY-3-FLUOROPHENYLBORONICACID
C13H16FNO4 (269.10633079999997)
6-(1,2,3,4-Tetrahydro-1-isoquinolinyl)-1,3-benzodioxol-5-ol
2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
C12H16ClN3O2 (269.09309859999996)
1,2,4-Triazolidine-3,5-dione,1,2,4-tris(2-oxiranylmethyl)-
2-(CHLOROACETYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
1-(1H-Benzo[d]imidazol-2-yl)-3-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
C14H11N3O3 (269.08003759999997)
1H-Pyrazolo[3,4-b]pyridine-3-carboximidamide, 1-[(2-fluorophenyl)Methyl]-
4-(4,4-DIMETHYLPIPERIDIN-1-YL)BENZOIC ACID HYDROCHLORIDE
3-(ETHYLCARBAMOYL)-[1,1-BIPHENYL]-2-CARBOXYLIC ACID
2-(3-(METHYLCARBAMOYL)-[1,1-BIPHENYL]-3-YL)ACETIC ACID
2-(1-BENZYLPIPERIDIN-4-YL)ACETIC ACID HYDROCHLORIDE
6-(2,3-difluorophenyl)pyridine-2-carboximidamide,hydrochloride
4-chloro-5,8-dimethylquinoline-2-carboximidamide,hydrochloride
3-(4-METHYLPIPERAZIN-1-YL)-5-(METHYLSULFONYL)ANILINE
2′-Deoxy-2′-fluoroadenosine
C10H12FN5O3 (269.09241340000005)
2′-Deoxy-2′-fluoroadenosine can be used for the?synthesis?of 2′-Deoxy-2′-fluoro-modified oligonucleotides hybridized with RNA. 2′-Deoxy-2′-fluoroadenosine can be cleaved efficiently by E. coli purine nucleoside phosphorylase (PNP) to the toxic agent 2-fluoroadenine (FAde). 2′-Deoxy-2′-fluoroadenosine shows excellent in vivo activity against tumors expressing E. coli PNP[1].
3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride
5-Chloro-6-methoxypyridine-3-boronic acid pinacol ester
5-Chloro-2-methoxypyridine-3-boronic acid pinacol ester
ETHYL 4-CHLORO-2-(PIPERIDIN-1-YL)PYRIMIDINE-5-CARBOXYLATE
C12H16ClN3O2 (269.09309859999996)
METHYL 3-(PIPERIDIN-4-YLMETHYL)BENZOATE HYDROCHLORIDE
2-((TERT-BUTOXYCARBONYL)(3-FLUOROPHENYL)AMINO)ACETIC ACID
C13H16FNO4 (269.10633079999997)
3-Aminomethylphenylboronic acid, pinacol ester, HCl
4-Thiazolidinecarboxylicacid, 2-(3,4-dimethoxyphenyl)-
3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE
(4-((2,4-DIMETHYLPHENYL)CARBAMOYL)PHENYL)BORONIC ACID
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride
(4-Chloro-3-(morpholine-4-carbonyl)phenyl)boronic acid
2-methyl-5-(pyrrolidin-1-ylsulfonyl)phenylboronic acid
METHYL 2-AMINO-2-(4-(TRIFLUOROMETHYL)PHENYL)ACETATE HYDROCHLORIDE
(S)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE
tert-Butyl 4-(thiazol-2-yl)piperazine-1-carboxylate
(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANAMINE HYDROCHLORIDE
4-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
(3-Chloro-5-(morpholine-4-carbonyl)phenyl)boronic acid
tert-butyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
C12H16ClN3O2 (269.09309859999996)
METHYL 7-CHLORO-2-METHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLATE
6-(BETA-D-2-DEOXYRIBOFURANOSYL)-3,4-DIHYDRO-8H-PYRIMIDO-[4,5-C][1,2]OXAZIN-7-ONE
para-anisaldehyde / methyl anthranilate schiffs base
Propatyl nitrate
C6H11N3O9 (269.04952760000003)
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
3-Chloro-2-methoxypyridine-4-boronic acid pinacol ester
Dexmethylphenidate hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Oncrasin-1
Oncrasin-1 is a highly effective anti-cancer inhibitor that can kill various K-Ras mutant human lung cancer cells at low concentrations.
3-Hydroxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylamino)-fumaric acid dimethyl ester
METHYL 4-(4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)BENZOATE
C14H11N3O3 (269.08003759999997)
6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-1-ISOQUINOLINE ACETIC ACID MONOHYDRATE
5-(((5-(TERT-BUTYL)OXAZOL-2-YL)METHYL)THIO)THIAZOL-2-AMINE
6-Chloro-2-methoxypyridine-3-boronic acid pinacol ester
2-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
5-Chloro-2-(morpholine-4-carbonyl)phenylboronic acid
(1-(tert-Butoxycarbonyl)-5-(methoxycarbonyl)-1H-pyrrol-2-yl)boronic acid
6-AMINO-2-([(2,3-DIFLUOROPHENYL)METHYL]SULFANYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
4-[(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-methyl]benzenecarboxylic acid
[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
1-(2-METHOXYETHYL)-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
tert-Butyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
C12H16ClN3O2 (269.09309859999996)
(R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE
4-Quinolinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
Ethyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate
C12H16ClN3O2 (269.09309859999996)
2-BENZYLAMINO-CYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE
(2R,3R,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
C10H12FN5O3 (269.09241340000005)
Methyl 4-acetamido-5-chloro-2,3-dihydrobenzofuran-7-carboxylate
(3-CHLORO-4-(MORPHOLINE-4-CARBONYL)PHENYL)BORONIC ACID
(S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone p-toluenesulfonate
1-(5-bromo-4-methylpyridin-2-yl)-4-methylpiperazine
4-BROMO-N,N-DIISOPROPYLBENZYLAMINE
C13H20BrN (269.07790200000005)
[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]boronic acid
[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]boronic acid
[3-[(2,5-dimethylphenyl)carbamoyl]phenyl]boronic acid
Methyl 3-(2-amino-4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine-4-carb oxylate
2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
C13H16FNO4 (269.10633079999997)
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
1-(benzo[d][1,3]dioxol-5-yl)-2-(6-Methylpyridin-2-yl)ethane-1,2-dione
benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium,chloride
tert-butyl 2-(hydroxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
(S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACIDT-BUTYL ESTER
N-Methyl-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzylamine
C13H14F3N3 (269.11397600000004)
1H-INDAZOLE, 6-FLUORO-1-METHYL-3-(4-PIPERIDINYL)-, HYDROCHLORIDE
(6-[4-(TRIFLUOROMETHOXY)PHENYL]PYRIDIN-3-YL)METHANOL
tert-Butyl (2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)carbamate
Benzenamine, 3-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-
3-(6-Hydroxybenzodioxol-5-yl)-1,3-dihydro-2H-indol-2-one
tert-butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
C12H16ClN3O2 (269.09309859999996)
N-(2-BROMOBENZYL)-DIISOPROPYLAMINE
C13H20BrN (269.07790200000005)
methylphenidate hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
METHYL 5-(ACETYLOXY)-4-(2-METHOXY-2-OXOETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLATE
1-(5-CHLORO-METHOXYPHENYL)-5-OXO-3-PYRROLIDINECARBOXYLIC ACID
L-NAME (hydrochloride)
C7H16ClN5O4 (269.08907660000006)
Phenol,4-[(E)-[(4-methoxyphenyl)methylene]amino]-, 1-acetate
(S)-Tert-Butyl2-(2-aminothiazol-4-yl)pyrrolidine-1-carboxylate
3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, 1,1-DIMETHYLETHYL ESTER, HYDROCHLORIDE, (S)-
(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)- 2,3-Butanediol
1-(2,1,3-Benzothiadiazol-5-yl)-2-(6-Methyl-2-pyridinyl)ethanone
methacryloyl oxyethyl dimethylbenzyl ammonium chloride
methyl 2-fluoro-4-((1-methoxy-2-methyl-1-oxopropan-2-yl)amino)benzoate
C13H16FNO4 (269.10633079999997)
1-Methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic Acid
3-(3-Fluorophenyl)-N,N-dimethylbicyclo[2.2.1]heptan-2-amine hydrochloride (1:1)
C15H21ClFN (269.13464680000004)
2-Aminopurine-9-beta-D-(2-deoxy-2-fluoro)arabino-riboside
C10H12FN5O3 (269.09241340000005)
(R)-2-(2-Fluoro-5-(trifluoromethyl)phenyl)pyrrolidine hydrochloride
1-(3-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidamide
(4S)-2-(3,5-Dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
(4-Methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
1-(2,4-DICHLORO-BENZYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YLAMINE
2-chloro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
ethyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate
C12H16ClN3O2 (269.09309859999996)
N4-Acetyl-2-deoxycytidine
N-Acetyl-2′-deoxycytidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
4-thiophen-2-yl-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
2-(3-(METHYLCARBAMOYL)-[1,1-BIPHENYL]-4-YL)ACETIC ACID
1-(3-CHLORO-4-METHOXYPHENYL)-5-OXO-3-PYRROLIDINECARBOXYLIC ACID
2-NITRO-ALPHA-[(2,2,2-TRIFLUOROETHOXY)METHYL]-IMIDAZOLE-1-ETHANOL
4(3H)-Pyrimidinone,2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-6-methyl-
METHYL 4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLATE
(2-Methyl-4-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine
C10H12FN5O3 (269.09241340000005)
5-（Furan-2-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazole-1-carboxamide
1-(5-BROMO-PYRIDIN-2-YL)-PYRROLIDIN-3-YL]-DIMETHYLAMINE
ethyl 2-[tert-butoxycarbonylimino]-3,3,3-trifluoro-propionate
2-AMINO-6-BENZYL-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBONITRILE
4-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
(4-((1H-Tetrazol-5-yl)carbamoyl)phenyl)boronic acid hydrochloride
C8H9BClN5O3 (269.04869440000004)
(3-((1H-TETRAZOL-5-YL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE
C8H9BClN5O3 (269.04869440000004)
2-THIOPHEN-2-YL-QUINOLINE-4-CARBOXYLICACIDHYDRAZIDE
2-Chlorodideoxyadenosine
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
4-(4-Propoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2-Amine
3-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]phenol
Pardoprunox hydrochloride
C12H16ClN3O2 (269.09309859999996)
C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Pardoprunox (SLV-308) hydrochloride is a partial dopamine D2 and D3 receptor partial agonist and a serotonin 5-HT1A receptor agonist, with pEC50s of 8, 9.2, and 6.3, respectively[1].
4-(3-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen
5-(2-Propoxyphenyl)-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
N-Benzoyl-D-phenylalanine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
2-(4-Methylanilino)-4-pyrido[3,2-e][1,3]thiazinone
4-Amino-1-[(1s,3r,4r,7s)-7-Hydroxy-1-(Hydroxymethyl)-2,5-Dioxabicyclo[2.2.1]Hept-3-Yl]-5-Methylpyrimidin-2(1h)-One
5-Methyl-2'-O,4'-C-methylenecytidine is a cytidine nucleoside analog. Cytidine analogs have a mechanism of inhibiting DNA methyltransferases (such as Zebularine, HY-13420), and have potential anti-metabolic and anti-tumor activities[1].
2-Methyl-3-(thiophene-2-carbonyl)-indolizine-1-carbaldehyde
2-(2-Chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole
1-Phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
2-Chloro-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid
(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol
(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
CI-994
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
ENDRALAZINE
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
6-methoxy-4-methylbenzo[g]quinoline-2,5,10(1H)-trione
A natural product found in Annona glabra.
Emodin(1-)
A phenolate anion that is the conjugate base of emodin, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3 (according to Marvin v 6.2.0.).
Genistein(1-)
An organic anion that is the conjugate base of genistein, obtained by selective deprotonation of the 7-hydroxy group.
(2S)-2-amino-5-[[(2S)-1-hydroxy-3-[(1S)-2-methylidenecyclopropyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
(2R,3S,4R,5S)-2-(7-amino-2,3-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
C10H15N5O4 (269.11239900000004)
(4R)-10,11-dihydroxy-5-azaspiro[cyclohexane-1,2-tricyclo[6.3.1.04,12dodecane]-(12),2,5,8,10-pentaen-4-one
(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-3-ium-8-ol
(2S)-2,5-diamino-4-[(2-phosphonoacetyl)amino]pentanoic acid
C7H16N3O6P (269.07766860000004)
2-Amino-9-(2,3-dideoxy-3-fluoropentofuranosyl)-3,9-dihydro-6H-purin-6-one
C10H12FN5O3 (269.09241340000005)
2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-1H-purin-6-one
C10H15N5O4 (269.11239900000004)
N-Benzoyl-L-phenylalanine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
Concerta
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Baicalein(1-)
A flavonoid oxoanion obtained by deprotonation of the hydroxy group at position 7 of baicalein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester
4-(3-Methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione
1-Methyl-5-(1-naphthalenyloxy)-4-nitroimidazole
C14H11N3O3 (269.08003759999997)
5-(2-furanyl)-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
C14H11N3O3 (269.08003759999997)
2-[(pyridin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one
3-(2-nitrophenyl)-N-3-pyridinylacrylamide
C14H11N3O3 (269.08003759999997)
4-Oxo-4-thiophen-2-ylbutanoic acid [2-(ethylamino)-2-oxoethyl] ester
3-Methyl-2-thiophenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
2-Thiophenecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester
2-phenoxy-N-[(1E)-pyridin-2-ylmethylene]propanohydrazide
2-(2-methylphenoxy)-N-[(1E)-pyridin-2-ylmethylene]acetohydrazide
2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile
(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide
3-(4-Tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde
5-Isocyano-2-[[2-(methylaminomethyl)phenyl]thio]aniline
1-[(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]naphthalen-2-ol
(2R)-2-acetamido-3-[(R)-benzylsulfinyl]propanoic acid
4-Nitrophenoxyacetic acid trimethylsilyl ester
C11H15NO5Si (269.07194599999997)
sulfamethoxazole hydroxylamine
A sulfonamide compound having a 4-hydroxylaminophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
alpha-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid
A monocarboxylic acid that is acrylic acid with substituents 4-methoxyphenyl at position 2 and 6-methylpyridin-2-yl at position 3.
pelargonidin(1-)
An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of pelargonidin; major species at pH 7.3.
nataloe-emodin(1-)
A phenolate anion that is the conjugate base of nataloe-emodin, obtained by deprotonation of the phenolic hydroxy group at position 2. Major species at pH 7.3.
baeocystin(1-)
An organophosphate oxoanion obtained by deprotonation of the phosphate and protonation of the amino group of baeocystin; major species at pH 7.3.
3'-Azido-3'-deoxy-beta-L-uridine
3'-Azido-3'-deoxy-beta-L-uridine (Compound 25) is a nucleoside derivative. 3'-Azido-3'-deoxy-beta-L-uridine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
3'-Deoxy-3'-fluoroadenosine
C10H12FN5O3 (269.09241340000005)
3'-Deoxy-3'-fluoroadenosine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Piperoxan (hydrochloride)
Piperoxan (Benodaine) hydrochloride is an α2 adrenoceptor antagonist. Piperoxan hydrochloride is the first-generation antihistamine.
(1s,2r)-1-[5-(3-chloro-4-hydroxyphenyl)-1,3-oxazol-2-yl]propane-1,2-diol
methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate
methyl 10-hydroxy-2-oxa-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-7-carboxylate
(14s)-14-methoxy-8-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2,4,6,11(15),16-hexaen-4-ol
apohaemanthamine
{"Ingredient_id": "HBIN016512","Ingredient_name": "apohaemanthamine","Alias": "NA","Ingredient_formula": "C16H15NO3","Ingredient_Smile": "C1C2C=CC34C1N(CC3O2)CC5=CC6=C(C=C45)OCO6","Ingredient_weight": "269.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1532","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "70693230","DrugBank_id": "NA"}
(2s)-2-{[hydroxy(phenyl)methylidene]amino}-3-phenylpropanoic acid
2-hydroxy-6-methoxy-4-methylbenzo[g]quinoline-5,10-dione
2,7-dimethoxy-6-methyl-9h-carbazole-1-carbaldehyde
9-hydroxy-7-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione
(12s,15r,17r,19s)-6,8,16-trioxa-1-azahexacyclo[13.3.2.0³,¹¹.0⁵,⁹.0¹²,¹⁷.0¹²,¹⁹]icosa-3,5(9),10,13-tetraene
(1r,13r)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-one
9-[(3-methylbut-2-en-1-yl)oxy]furo[3,2-g]quinolin-7-ol
9-methoxy-8-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),2,4,6,10,15-hexaen-4-ol
(1s,13r)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-one
(12s,15r,17s,19s)-6,8,16-trioxa-1-azahexacyclo[13.3.2.0³,¹¹.0⁵,⁹.0¹²,¹⁷.0¹²,¹⁹]icosa-3,5(9),10,13-tetraene
7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione
(5r)-3-(2-chloroethyl)-5-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-methyl-5h-pyrrol-2-ol
5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-15-one
n-[2-(4-methoxyphenyl)-2-oxoethyl]benzenecarboximidic acid
6-hydroxy-7-methoxy-4-methylbenzo[g]quinoline-5,10-dione
2-(hydroxymethyl)-5-{7-imino-1h,2h,3h,6h-pyrazolo[4,3-d]pyrimidin-3-yl}oxolane-3,4-diol
C10H15N5O4 (269.11239900000004)
(5s)-3-(2-chloroethyl)-5-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-methyl-5h-pyrrol-2-ol
2-{[hydroxy(phenyl)methylidene]amino}-3-phenylpropanoic acid
3-(2-chloroethyl)-5-[cyclohex-2-en-1-yl(hydroxy)methyl]-4-methyl-5h-pyrrol-2-ol
3,4-dihydroxy-5-(hydroxymethyl)-1',4'-dihydrospiro[oxolane-2,3'-pyrrolo[2,1-c][1,4]oxazine]-6'-carbaldehyde
2-[2-(aminomethyl)phenoxy]-6-methyloxane-3,4,5-triol
n-[(2s)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]-2,3-dihydroxybenzenecarboximidic acid
2-hydroxy-3-methoxy-4-methylbenzo[g]quinoline-5,10-dione
2,12,15-triazapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(20),3,5,7,9,11,13(21),14(19),15,17-decaene
(1s,19s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,14,16-pentaen-18-ol
n-(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)-2,3-dihydroxybenzenecarboximidic acid
1-acetyl-4-hydroxy-9h-pyrido[3,4-b]indole-3-carboximidic acid
C14H11N3O3 (269.08003759999997)