Exact Mass: 223.1360922
Exact Mass Matches: 223.1360922
Found 448 metabolites which its exact mass value is equals to given mass value 223.1360922,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mepanipyrim
CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9352; ORIGINAL_PRECURSOR_SCAN_NO 9351 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9350; ORIGINAL_PRECURSOR_SCAN_NO 9348 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9334; ORIGINAL_PRECURSOR_SCAN_NO 9332 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9294; ORIGINAL_PRECURSOR_SCAN_NO 9293 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9313 CONFIDENCE standard compound; INTERNAL_ID 1114; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9337; ORIGINAL_PRECURSOR_SCAN_NO 9336 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3062
Neostigmine
Neostigmine is only found in individuals that have used or taken this drug. It is a cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike physostigmine, does not cross the blood-brain barrier. [PubChem]Neostigmine is a parasympathomimetic, specifically, a reversible cholinesterase inhibitor. The drug inhibits acetylcholinesterase which is responsible for the degredation of acetylcholine. So, with acetylcholinesterase inhibited, more acetylcholine is present By interfering with the breakdown of acetylcholine, neostigmine indirectly stimulates both nicotinic and muscarinic receptors which are involved in muscle contraction. It does not cross the blood-brain barrier. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics > N07AA - Anticholinesterases D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
Cerulenin
Cerulenin is an antifungal antibiotic that inhibits sterol and fatty acid biosynthesis. In fatty acid synthesis, reported to bind in equimolar ratio to b-keto-acyl-ACP synthase. In sterol synthesis, inhibits HMG-CoA synthetase activity. It is also shown to inhibit feeding and induce dramatic weight loss in mice. It is found naturally in the Cephalosporium caerulensfungus. [Wikipedia] D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4]. Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4].
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
1-benzyl-1,2,3,4-tetrahydroisoquinoline (1BnTIQ) as a possible PD-eliciting neurotoxin and evaluated its characteristics relevant to Parkinson disease (PD). 1BnTIQ exist in mammals and is proposed as possible PD-eliciting neurotoxin. PD is believed to be induced by the interaction of genetic predisposition and environmental factors, and a type of neurotoxin is proposed to be one of the environmental factors. 1BnTIQ inhibits [3H] dopamine uptake in HEK293 cells which stably express dopamine transporter. 1BnTIQ also inhibits NADH-ubiquinone oxidoreductase (complex I) in the mitochondrial respiratory chain. 1BnTIQ decreases the dopamine content in the mesencephalon in both dose- and time-dependent manners and it irreversibly reduced the dopamine content. Furthermore, it causes morphological changes in tyrosine hydroxylase-positive cells in the mesencephalon and reduced the number of cells. (PMID 12440154) [HMDB] 1-benzyl-1,2,3,4-tetrahydroisoquinoline (1BnTIQ) as a possible PD-eliciting neurotoxin and evaluated its characteristics relevant to Parkinson disease (PD). 1BnTIQ exist in mammals and is proposed as possible PD-eliciting neurotoxin. PD is believed to be induced by the interaction of genetic predisposition and environmental factors, and a type of neurotoxin is proposed to be one of the environmental factors. 1BnTIQ inhibits [3H] dopamine uptake in HEK293 cells which stably express dopamine transporter. 1BnTIQ also inhibits NADH-ubiquinone oxidoreductase (complex I) in the mitochondrial respiratory chain. 1BnTIQ decreases the dopamine content in the mesencephalon in both dose- and time-dependent manners and it irreversibly reduced the dopamine content. Furthermore, it causes morphological changes in tyrosine hydroxylase-positive cells in the mesencephalon and reduced the number of cells. (PMID 12440154). D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
Tigloidine
C13H21NO2 (223.15722060000002)
Tigloyltropeine is found in fruits. Tigloyltropeine is an alkaloid from Physalis alkekengi (winter cherry) roots. Alkaloid from Physalis alkekengi (winter cherry). Tigloidine is found in fruits. Tigloidin is an analogue of atropine, with anticholinergic activity. Tigloidin is an analogue of atropine, with anticholinergic activity.
Nicoboxil
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent Same as: D01677
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone is considered to be slightly soluble (in water) and relatively neutral
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is considered to be slightly soluble (in water) and relatively neutral
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone
4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone, also known as NNK-N-Oxide, is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone is considered to be practically insoluble (in water) and relatively neutral
bufexamac
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3322
Bucetin
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3469; ORIGINAL_PRECURSOR_SCAN_NO 3465 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3475; ORIGINAL_PRECURSOR_SCAN_NO 3473 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3486; ORIGINAL_PRECURSOR_SCAN_NO 3483 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3465; ORIGINAL_PRECURSOR_SCAN_NO 3462 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3484; ORIGINAL_PRECURSOR_SCAN_NO 3482 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3508; ORIGINAL_PRECURSOR_SCAN_NO 3507 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7495; ORIGINAL_PRECURSOR_SCAN_NO 7493 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7483; ORIGINAL_PRECURSOR_SCAN_NO 7481 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7505; ORIGINAL_PRECURSOR_SCAN_NO 7504 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7516; ORIGINAL_PRECURSOR_SCAN_NO 7513 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7539; ORIGINAL_PRECURSOR_SCAN_NO 7535 CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7505; ORIGINAL_PRECURSOR_SCAN_NO 7503
Dihydrodioscorine
C13H21NO2 (223.15722060000002)
Dihydrodioscorine is found in root vegetables. Dihydrodioscorine is an alkaloid from the tubers of the famine food Dioscorea dumetoru
Dumetorine
C13H21NO2 (223.15722060000002)
Dumetorine is found in root vegetables. Dumetorine is an alkaloid from the tubers of the famine food Dioscorea dumetoru
N-(2-Methylacryloyl)-L-histidine
Tiletamine Hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
TILETAMINE
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
4-Isopropyl-2,5-dimethoxyphenethylamine
C13H21NO2 (223.15722060000002)
Toliprolol
C13H21NO2 (223.15722060000002)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Etamivan
R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid
7,8-dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-6-ol
3-ethoxy-4-vinyl-3,4,4a,5,6,7-hexahydro-pyrano[3,4-c]pyridin-8-one|?藛1.8a-Isomer-Spicatine+
(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-methanol
6-(3-methylbutylamino)-2-hydroxy-7,8-dihydropurine
N-(3,4-dimethoxyphenethyl)-guanidine
C11H17N3O2 (223.13207020000002)
N,N-dihydroxytrihomomethionine
An N,N-dihydroxy-alpha-amino acid having a 6-thiaheptyl substituent at the 2-position.
Tigloidine
C13H21NO2 (223.15722060000002)
Tropigline is a natural product found in Datura stramonium with data available. Tigloidin is an analogue of atropine, with anticholinergic activity. Tigloidin is an analogue of atropine, with anticholinergic activity.
Cerulenin
An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function. D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4]. Cerulenin, a potent, natural inhibitor of fatty acid synthase (FASN), is an epoxide produced by the fungus Cephalosporium caeruleus. Cerulenin inhibits topoisomerase I catalytic activity and augments SN-38-induced apoptosis. Cerulenin has antifungal and antitumor activies[1][2][3][4].
Fadrozole
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5528; ORIGINAL_PRECURSOR_SCAN_NO 5526 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5562; ORIGINAL_PRECURSOR_SCAN_NO 5560 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9313 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9314 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9337; ORIGINAL_PRECURSOR_SCAN_NO 9336 CONFIDENCE standard compound; INTERNAL_ID 759; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9352; ORIGINAL_PRECURSOR_SCAN_NO 9351
a-[1-(diethylamino)ethyl]-p-hydroxy-Benzyl alcohol
C13H21NO2 (223.15722060000002)
Rimiterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Dihydrodioscorine
C13H21NO2 (223.15722060000002)
Dumetorine
C13H21NO2 (223.15722060000002)
2,4-DIAMINO-6-(METHACRYLOYLOXY)ETHYL-1,3,5-TRIAZINE
C9H13N5O2 (223.10691980000001)
3-Fluoropyridine-4-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
methyl 2-amino-6-fluoro-3,4-dihydro-1H-naphthalene-2-carboxylate
tert-Butyl 1,3,3a,4,7,7a-hexahydro-2H-isoindole-2-carboxylate
C13H21NO2 (223.15722060000002)
1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-4-AMINE
C10H18BN3O2 (223.14919980000002)
N,N-Diethyl-2-(2-methoxyphenoxy)ethanamine
C13H21NO2 (223.15722060000002)
3-cyclohexyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
5-METHYL-4-PIPERIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID
tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
C11H17N3O2 (223.13207020000002)
6-Fluoropyridine-2-Boronic Acid Pinacol Ester
C11H15BFNO2 (223.11798120000003)
5-METHYL-1-PHENYL-(1H-PYRAZOL-4-YLMETHYL)AMINE HYDROCHLORIDE
5H-Dibenzo[a,d]cyclohepten-5-one,10,11-dihydro-, oxime
(6-Amino-pyridin-3-ylmethyl)-carbamic acid tert-butyl ester
C11H17N3O2 (223.13207020000002)
TERT-BUTYL 3A,4,7,7A-TETRAHYDRO-1H-ISOINDOLE-2(3H)-CARBOXYLATE
C13H21NO2 (223.15722060000002)
1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine hydrochloride
3-AMINO-3-(2,5-DIMETHYL-4-METHOXY-PHENYL)-PROPIONIC ACID
Benzenamine, 4-(4-ethyl-1-piperazinyl)-2-fluoro- (9CI)
(2,2-DIMETHYL-[1,3]DIOXOLAN-4-YL)-HYDROXY-ACETICACIDETHYLESTER
C13H21NO2 (223.15722060000002)
2-Fluoropyridine-5-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
tert-butyl N-[(1S,2S)-3-chloro-2-hydroxy-1-methyl-propyl]carbamat e
tert-butyl 4-prop-2-ynylpiperidine-1-carboxylate
C13H21NO2 (223.15722060000002)
6-Trimethylsilyl-N-tert-butyl-2,4-hexadienaldimine
1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxylic acid
5-Fluoropyridine-2-Boronic Acid Pinacol Ester
C11H15BFNO2 (223.11798120000003)
TERT-BUTYL 4,7-DIHYDROFURO[2,3-C]PYRIDINE-6(5H)-CARBOXYLATE
Selegiline HCl
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D020011 - Protective Agents
1-BENZYL-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE
4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C11H15BFNO2 (223.11798120000003)
N-Cyclopropyl-1,2,3,4-tetrahydro-2-naphthalenamine hydrochloride (1:1)
tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate
C13H21NO2 (223.15722060000002)
1H-Benz[f]isoindole,2-cyclopropyl-2,3-dihydro-6-methyl-(9CI)
4-METHYL-2-MORPHOLIN-4-YL-PYRIMIDINE-5-CARBOXYLIC ACID
5-FLUORO-3-(4-HYDROXY-BUTYL)-1,3-DIHYDRO-INDOL-2-ONE
(4-((3-HYDROXYPROPYL)CARBAMOYL)PHENYL)BORONIC ACID
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
C12H22BNO2 (223.17435020000002)
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
Tert-Butyl 5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
C11H17N3O2 (223.13207020000002)
Epichlorohydrin-3,3-iminobispropylamine polymer
C9H22ClN3O (223.14513119999998)
Ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
methyl 6-[(2-amino-2-methyl-propyl)amino]pyridine-3-carboxylate
C11H17N3O2 (223.13207020000002)
(6-chloro-pyridin-3-yl)-morpholin-4-yl-methanone
C11H17N3O2 (223.13207020000002)
2-(4-Methyl-1-piperazinyl)-5-nitropyrimidine
C9H13N5O2 (223.10691980000001)
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
C12H22BNO2 (223.17435020000002)
n-Methyl-(2-thiomorpholinopyrid-4-yl)methylamine
5-Fluoropyridine-3-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
1-(2-methoxyethyl)-3-piperidinecarboxylic acid(SALTDATA: HCl)
tert-Butyl 5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate
C11H17N3O2 (223.13207020000002)
1-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
5-(TERT-BUTYL)-4,5,6,7-TETRAHYDROBENZO[D]ISOXAZOLE-3-CARBOXYLIC ACID
(4-HYDROXY-2-METHYLPHENYL)CARBAMIC ACID TERT-BUTYL ESTER
tert-Butyl 3-(1H-pyrazol-1-yl)azetidine-1-carboxylate
C11H17N3O2 (223.13207020000002)
6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
C11H17N3O2 (223.13207020000002)
methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate
2-(Boc-amino)-5-(aminomethyl)pyridine
C11H17N3O2 (223.13207020000002)
(S)-tert-butyl 2-amino-3,3-dimethylbutanoate hydrochloride
4-Amino-2-(Boc-amino)-5-methylpyridine
C11H17N3O2 (223.13207020000002)
2,4(1H,3H)-Pyrimidinedione,6-methyl-5-(1-piperidinylmethyl)-
C11H17N3O2 (223.13207020000002)
2-(2-hydroxyethyl-(5H-purin-6-yl)amino)ethanol
C9H13N5O2 (223.10691980000001)
(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)methanamine
(2S,4R)-4-(2-Fluorobenzyl)pyrrolidine-2-carboxylic acid
tert-Butyl (5-aminopyridin-2-yl)(methyl)carbamate
C11H17N3O2 (223.13207020000002)
tert-butyl 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate
C11H17N3O2 (223.13207020000002)
1-Amino-3-(4-tert-butyl-phenoxy)-propan-2-ol
C13H21NO2 (223.15722060000002)
N-Benzylaminoacetaldehyde diethyl acetal
C13H21NO2 (223.15722060000002)
2-Fluoropyridine-3-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
tert-butyl 1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
C11H17N3O2 (223.13207020000002)
(S)-1-(4-PHENYL-1H-IMIDAZOL-2-YL)ETHANAMINE HYDROCHLORIDE
3-(cyclohexylamino)-4-ethoxycyclobut-3-ene-1,2-dione
(2-amino-pyridin-4-ylmethyl)-carbamic acid tert-butyl ester
C11H17N3O2 (223.13207020000002)
2-Fluoropyridine-4-boronic acid pinacol ester
C11H15BFNO2 (223.11798120000003)
3,5-Dimethylisoxazole-4-boronic acid pinacol ester
C11H18BNO3 (223.13796680000002)
2-(Boc-amino)-4-(aminomethyl)pyridine
C11H17N3O2 (223.13207020000002)
Pyridine-2-boronic acid pinacol ester
C11H18BNO3 (223.13796680000002)
{4-[3-(Dimethylamino)propoxy]phenyl}boronic acid
C11H18BNO3 (223.13796680000002)
tert-butyl 6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
C11H17N3O2 (223.13207020000002)
(1R,4R)-4-(6-Methoxy-pyriMidin-4-ylaMino)-cyclohexanol
C11H17N3O2 (223.13207020000002)
(3-fluoro-5-(pyrrolidin-1-ylMethyl)phenyl)boronic acid
C11H15BFNO2 (223.11798120000003)
Pyrrolidinium, 1-methyl-1-propyl-, methanesulfonate
3-(2-Ethoxycarbonylethyl)-2,4-dimethyl-5-formylpyrrole
N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)methanimine
N-(2-HYDROXY-1,1-DIMETHYLETHYL)-2-METHOXYBENZENECARBOXAMIDE
4,6-dimethoxy-2-piperidin-4-ylpyrimidine
C11H17N3O2 (223.13207020000002)
3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
TERT-BUTYL 6,7-DIHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
C11H17N3O2 (223.13207020000002)
3-[(ALLYLAMINO)CARBONYL]BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
5-(AMINOMETHYL)-2-(N-BOC)AMINOPYRIDINE
C11H17N3O2 (223.13207020000002)
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol
C13H21NO2 (223.15722060000002)
Methyl 1-amino-4-methoxycyclohexanecarboxylate hydrochloride
ETHYL 6-(TERT-BUTYL)-4-OXO-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
N-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid
4-Amino-2-(1-piperazinyl)-5-pyrimidinecarboxylic acid
C9H13N5O2 (223.10691980000001)
4-tert-butyl-3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester
C13H21NO2 (223.15722060000002)
4-(4-ETHOXY-3-METHYL-PHENYL)-BUTYRIC ACID
C13H21NO2 (223.15722060000002)
2-ADAMANTAN-1-YL-2-AMINOPROPIONIC ACID
C13H21NO2 (223.15722060000002)
(4-((1H-PYRAZOL-1-YL)METHYL)PHENYL)METHANAMINE HYDROCHLORIDE
N-(2-hydroxyethyl)adamantane-1-carboxamide
C13H21NO2 (223.15722060000002)
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
1H-Indole,1-(2,5-dimethylphenyl)-2,3-dihydro-(9CI)
ethyl 4-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
C13H21NO2 (223.15722060000002)
Imafen hydrochloride
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid
N-[3,5-dimethyl-1-(1-oxopropyl)-4-pyrazolyl]propanamide
C11H17N3O2 (223.13207020000002)
Acetamide, N-[4-[(trimethylsilyl)oxy]phenyl]-
C11H17NO2Si (223.10285020000003)
2-Prolyl-5-tert-butyl-[1,3,4]oxadiazole
C11H17N3O2 (223.13207020000002)
Nicoboxil
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent Same as: D01677
Olivetolate
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of olivetolic acid. The major species at pH 7.3. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(3E,5Z)-tetradecadienoate
A long-chain unsaturated fatty acid anion that is the conjugate base of (3E,5Z)-tetradecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-Amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropteridin-4-one
C9H13N5O2 (223.10691980000001)
A dihydropterin that is 2-amino-6-hydroxymethyl-7,8-dihydropteridin-4-one with two methyl substituents at position 7.
2-(3-{3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}oxiran-2-yl)-5,6-dihydro-1H-pyridin-2-ol
(2S)-2-(dihydroxyamino)-7-(methylsulfanyl)heptanoic acid
2-Amino-6-[1-hydroxyethyl]-7-methyl-7,8-dihydropterin
C9H13N5O2 (223.10691980000001)
(2R,3S)-3-(1-oxonona-4,7-dienyl)-2-oxiranecarboxamide
Eldepryl
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D020011 - Protective Agents
Nonylsulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a nonyl group.
7-Methyloctyl sulfate
An organosulfate oxoanion that is the conjugate base of 7-methyloctyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(7-Methyloctyl)sulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (7-methyloctyl) group.
2,6-Dimethylheptyl sulfate
An organosulfate oxoanion that is the conjugate base of 2,6-dimethylheptyl hydrogen sulfate.
(2R)-2,6-dimethylheptyl sulfate
The (R)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex.
2-[2-(9H-purin-6-ylamino)ethoxy]ethanol
C9H13N5O2 (223.10691980000001)
(2S)-2,6-dimethylheptyl sulfate
The (S)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex.
(2R)-3-(4-hydroxyphenyl)-2-(trimethylazaniumyl)propanoate
L-O,2,3-trimethyltyrosine
A non-proteinogenic L-alpha-amino acid that is L-tyrosine in which the hydrogens at positions 2 and 3 as well as the phenolic hydrogen are replaced by methyl groups.
[N,N-bis(2-aminoethyl)propane-1,3-diamine]copper(2+)
NEOSTIGMINE
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics > N07AA - Anticholinesterases D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
2-amino-6-(1-hydroxyethyl)-7-methyl-7,8-dihydropteridin-4-one
C9H13N5O2 (223.10691980000001)
A dihydropterin that is 7,8-dihydropteridin-4-one substituted at positions 2, 6 and 7 by amino, 1-hydroxyethyl and methyl groups respectively.
[(1s)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
1-[(7s,7as)-7-hydroxy-5-[(1r)-1-hydroxyethyl]-2h,3h,7h,7ah-cyclopenta[b]pyridin-1-yl]ethanone
1-(4-hydroxy-2-imino-1,6,7,8-tetrahydropteridin-5-yl)propan-1-one
C9H13N5O2 (223.10691980000001)
(3s,4s)-4-ethenyl-3-ethoxy-1h,3h,4h,5h,6h-pyrano[3,4-c]pyridin-8-ol
(1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enoate
C13H21NO2 (223.15722060000002)
3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecane-4,11-dione
(1r,3s,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-methylbut-2-enoate
C13H21NO2 (223.15722060000002)
6-amino-7,8-dihydro-2-hydroxypurine; 6-n-(3-methylbutyl)
{"Ingredient_id": "HBIN012216","Ingredient_name": "6-amino-7,8-dihydro-2-hydroxypurine; 6-n-(3-methylbutyl)","Alias": "NA","Ingredient_formula": "C10H17N5O","Ingredient_Smile": "NA","Ingredient_weight": "223.27","OB_score": "NA","CAS_id": "188542-24-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7582","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,4r,4as)-4-ethenyl-3-ethoxy-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyridin-8-ol
n-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
C11H17N3O2 (223.13207020000002)
1-[(7s,7as)-7-hydroxy-5-[(1s)-1-hydroxyethyl]-2h,3h,7h,7ah-cyclopenta[b]pyridin-1-yl]ethanone
8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-methylbut-2-enoate
C13H21NO2 (223.15722060000002)
(2r,3s)-3-[(4e,7e)-nona-4,7-dienoyl]oxirane-2-carboximidic acid
3-[4-hydroxy-6-(2-methylpropyl)pyrimidin-2-yl]propanimidic acid
C11H17N3O2 (223.13207020000002)
(1s,2r,3s,6r)-3-methyl-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecane-4,11-dione
4-ethenyl-3-ethoxy-1h,3h,4h,5h,6h-pyrano[3,4-c]pyridin-8-ol
8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-methylbut-2-enoate
C13H21NO2 (223.15722060000002)
3-[5-(2-methylpropyl)-3-oxo-4h-pyrazin-2-yl]propanimidic acid
C11H17N3O2 (223.13207020000002)
(2r,3r,4r)-2-[(4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
7-hydroxy-3-(hydroxymethyl)-5,5,7-trimethyl-6h-indolizin-8-one
1-[7-hydroxy-5-(1-hydroxyethyl)-2h,3h,7h,7ah-cyclopenta[b]pyridin-1-yl]ethanone
2-{[(2e,4z)-1-hydroxy-7-methylocta-2,4-dien-1-ylidene]amino}prop-2-enoic acid
(5s,7r,7ar)-3-imino-5-(2-methylprop-1-en-1-yl)-hexahydropyrrolo[1,2-c]imidazole-7-carboxylic acid
C11H17N3O2 (223.13207020000002)
(2e,4e)-2-methyl-n-[(2r,3s)-3-methyl-1-oxopentan-2-yl]hexa-2,4-dienimidic acid
C13H21NO2 (223.15722060000002)
2-methyl-n-(3-methyl-1-oxopentan-2-yl)hexa-2,4-dienimidic acid
C13H21NO2 (223.15722060000002)
4',5-dimethyl-5-azaspiro[bicyclo[2.2.2]octane-2,2'-oxan]-6'-one
C13H21NO2 (223.15722060000002)
(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enoate
C13H21NO2 (223.15722060000002)
4-ethenyl-3-ethoxy-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyridin-8-ol
(2e,4e)-2-methyl-n-[(2s,3s)-3-methyl-1-oxopentan-2-yl]hexa-2,4-dienimidic acid
C13H21NO2 (223.15722060000002)