Exact Mass: 249.196678
Exact Mass Matches: 249.196678
Found 288 metabolites which its exact mass value is equals to given mass value 249.196678,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Alprenolol
Alprenolol is only found in individuals that have used or taken this drug. It is one of the adrenergic beta-antagonists used as an antihypertensive, anti-anginal, and anti-arrhythmic agent. [PubChem]Alprenolol non-selectively blocks beta-1 adrenergic receptors mainly in the heart, inhibiting the effects of epinephrine and norepinephrine resulting in a decrease in heart rate and blood pressure. Also, with a more minor effect, by binding beta-2 receptors in the juxtaglomerular apparatus, alprenolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production and therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
O-Desmethyltramadol
O-Desmethyltramadol is a metabolite of tramadol. O-Desmethyltramadol (O-DSMT) is an opioid analgesic and the main active metabolite of tramadol. (+)-O-Desmethyltramadol is the most important metabolite of tramadol produced in the liver after tramadol is consumed. This metabolite is considerably more potent as a μ-opioid agonist than the parent compound (Wikipedia). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
N-Desmethyltramadol
N-Desmethyltramadol is a metabolite of tramadol. Tramadol hydrochloride (trademarked as Conzip, Ryzolt, Ultracet, Ultram in the USA; Ralivia and Zytram XL in Canada) is a centrally-acting synthetic analgesic used to treat moderate to moderately-severe pain. The drug has a wide range of applications, including treatment of rheumatoid arthritis, restless legs syndrome, and fibromyalgia. It was launched and marketed as Tramal by the German pharmaceutical company Grnenthal GmbH in 1977 (Wikipedia).
N,O-Didesmethylvenlafaxine
N,O-Didesmethylvenlafaxine is a metabolite of venlafaxine (brand name: Effexor or Efexor). Venlafaxine is a bicyclic antidepressant and is usually categorized as a serotonin-norepinephrine reuptake inhibitor (SNRI), but it has been referred to as a serotonin-norepinephrine-dopamine reuptake inhibitor. It works by blocking the transporter reuptake proteins for key neurotransmitters affecting mood, thereby leaving more active neurotransmitters in the synapse.
2,4-Dodecadienoic acid pyrrolidide
2,4-Dodecadienoic acid pyrrolidide is found in herbs and spices. 2,4-Dodecadienoic acid pyrrolidide is a constituent of pepper (Piper nigrum) (Piperaceae). Constituent of pepper (Piper nigrum) (Piperaceae). 2,4-Dodecadienoic acid pyrrolidide is found in herbs and spices and pepper (spice).
Desmethylnortriptyline
Desmethylnortriptyline is a metabolite of Amitriptyline. Amitriptyline, nortriptyline and their metabolites, desmethylnortriptyline, cis and trans 10-hydroxyamitriptyline, cis and trans 10-hydroxynortriptyline and amitriptyline-N-oxide, have been tested for inhibitory effect on the uptake of serotonin. All the metabolites are less anticholinergic than amitriptyline and nortriptyline. (PMID: 7395525)
Amidantel
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
O-Demethyltramadol
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Tenocyclidine
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D020011 - Protective Agents
thienylcyclohexylpiperidine
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents
(1alpha,2beta,4aalpha,8aalpha)-N-[Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenyl]-formamide
Axamide 1
N,N-Didesmethylvenlafaxine
A monomethoxybenzene that is the N,N-didesmethyl derivative of venlafaxine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2658
TENOCYCLIDINE
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D020011 - Protective Agents
N-(3,7,11-trimethyldodeca-2,6,10-trienyl)formamide
(1S,4S,7S,8R,11R,12R,13S)-13-isopropyl-12-methyl-10-oxa-2-azatetracyclo<5.4.1.1.8,11.04,12>tridecan-9-one|14-Nor-dendroban-12-on|14-nor-dendroban-12-one|mubironine B|Nordendrobin
aldotripiperideine|alpha-Aldotripiperidein|Hexadecahydro-dipyrido[2,1-f;2,3-h][1,6]naphthyridin|hexadecahydro-dipyrido[2,1-f;2,3-h][1,6]naphthyridine
(-)-Isocastoramin|(-)-isocastoramine|(9aS)-6t-furan-3-yl-3t,9c-dimethyl-(9ar)-octahydro-quinolizin-2t-ol|Isocastoramine
11-formamido-7beta-H-eudesm-5-ene|11-formamido-7betaH-eudesm-5-ene
2-(hept-5-enyl)-3-methyl-4-oxo-6,7,8,8a-tetrahydro-4h-pyrrolo[2,1-b]-1,3-oxazine
rel-7-formamido-7,8-dihydro-alpha-bisabolane|rel-N-{(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-hept-5-en-2-yl}formamide
4-(6-furan-3-yl-3-methyl-piperidin-2-yl)-2-methyl-but-2-en-1-ol|Nuphamin|Nuphamine
N-(2-Isopropyl-3a,5-dimethyl-1,4-methanohydrindane-5-yl)formamide
(2E,4E)-2,4-Decadiensaeure-(4-hydroxy-2,3-didehydropiperidid)|(2E,4E)-2,4-Decadiensaeure-<4-hydroxy-2,3-didehydropiperidid>
N,N-Didesvenlafaxine
CONFIDENCE standard compound; INTERNAL_ID 2016
N,O-Didesmethylvenlafaxine
A secondary amino compound that is N-methylethanamine substituted by a 1-hydroxycyclohexyl and a 4-hydroxyphenyl group at position 1. It is a metabolite of the drug venlafaxine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2657
5-butyl-4-hydroxy-3-methyl-6-(3-methylbut-2-enyl)-1H-pyridin-2-one
NVE_250.1804_10.8
CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 1201
4-Aminoantipyrine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 2270
O-Desmethyl tramadol
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 2287
alprenolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
(2S,5R)-5-(pent-4-en-1-yl)-2-propyldecahydroquinoline
(2S,5S)-5-(pent-4-en-1-yl)-2-propyldecahydroquinoline
(2S,5S)-2-(pent-4-en-1-yl)-5-propyldecahydroquinoline
(3S,5R)-3-butyl-5-(pent-4-en-1-yl)octahydroindolizine
(5S,6R,8R)-8-ethyl-5-((Z)-hex-3-en-3-yl)-6-methyloctahydroindolizine
(2S,3S,7S,10S)-3,7,10-trimethyldodecahydrocyclopenta[b]quinolizine-2-carbaldehyde
5-Butyl-4-hydroxy-3-methyl-6-(3-methyl-2-buten-1-yl)-2(1H)-pyridinone
1,2-Ethanediamine, N1-(2-aminoethyl)-N2-[3-(dimethoxymethylsilyl)propyl]
3-BENZYL-2,3,4,5-TETRAHYDRO-1H-1,5-METHANOBENZO[D]AZEPINE
1-(4-amino-5-Methoxy-2-Methylphenyl)-N,N-dimethylpiperidin-4-amine
C14H23N3O (249.18410279999998)
2-methoxy-4-[2-(4-methylpiperazin-1-yl)ethyl]aniline
C14H23N3O (249.18410279999998)
1-[2-AMINO-1-(2-AMINO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
1-[2-AMINO-1-(4-AMINO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
2-[(3,4-DIMETHOXYPHENYL)METHYL]HEXAHYDRO-1H-AZEPINE,
6-Methoxy-2-methylpyridine-3-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
6-Methoxy-5-methylpyridine-3-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
2-Methoxy-5-methylpyridine-3-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C13H20BNO3 (249.15361600000003)
2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
C13H20BNO3 (249.15361600000003)
2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C13H20BNO3 (249.15361600000003)
8-hydroxy-3,4-dihydro-3-(dipropylamino)-2H-1-benzopyran
ethyl 1-(6-methylpyrazin-2-yl)piperidine-3-carboxylate
6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
Ciramadol
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
(3-(DIISOPROPYLCARBAMOYL)PHENYL)BORONIC ACID
C13H20BNO3 (249.15361600000003)
tert-Butyl (2-(2-(2-hydroxyethoxy)ethoxy)ethyl)carbamate
C11H23NO5 (249.15761479999998)
benzoctamine
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BD - Dibenzo-bicyclo-octadiene derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1-[2-AMINO-1-(3-AMINO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
Mabuprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
4-Hydrazino-piperidine-1-carboxylic acid benzyl ester
3-[(4-fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane
2-Ethoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine
C13H20BNO3 (249.15361600000003)
2-ETHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
C13H20BNO3 (249.15361600000003)
tert-butyl3-amino-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
N-ETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE
C12H20BN3O2 (249.16484900000003)
(+)-ethyl (s)-2-amino-4-cyclohexylbutyrate hydrochloride
1,4,7,10,13-PENTAOXACYCLOPENTADECANE-2-METHANAMINE
C11H23NO5 (249.15761479999998)
1-Piperazineacetic acid, 4-(2-pyridinyl)-, ethyl ester
POLYHEXAMETHYLENEGUANIDINEHYDROCHLORIDE
C10H24ClN5 (249.17201339999997)
3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-amine
C14H23N3O (249.18410279999998)
ethyl 1-(6-methylpyrazin-2-yl)piperidine-4-carboxylate
2-(DIISOPROPYLCARBANOYL) PHENYLBORONIC ACID
C13H20BNO3 (249.15361600000003)
1-(6-AMINO-5-METHOXYINDOLIN-1-YL)-2-(DIMETHYLAMINO)ETHANONE
[4-[di(propan-2-yl)carbamoyl]phenyl]boronic acid
C13H20BNO3 (249.15361600000003)
6-Ethoxypyridine-2-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
5-Ethoxypyridine-3-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
2-Methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C13H20BNO3 (249.15361600000003)
N,N-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
C12H20BN3O2 (249.16484900000003)
ethyl 6-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
(2S,5R)-5-(benzyloxyamino)-piperidine-2-carboxylic acid amide
(4,4-difluorocyclohexylmethyl)carbamic acid tert-butyl ester
N,N-diMethyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyriMidin-4-aMine
C12H20BN3O2 (249.16484900000003)
N-(2-Aminoethyl)-N-[3-(dimethoxymethylsilyl)propyl]-1,2-ethanediamine
(4-(Dipropylcarbamoyl)phenyl)boronic acid
C13H20BNO3 (249.15361600000003)
4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)methanamine
C14H23N3O (249.18410279999998)
5-(Methoxymethyl)pyridine-3-boronic acid pinacol ester
C13H20BNO3 (249.15361600000003)
(3-(DIPROPYLCARBAMOYL)PHENYL)BORONIC ACID
C13H20BNO3 (249.15361600000003)
(E)-1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
A member of the class of pyrroles that is 2,3-dihydro-1H-pyrrole substituted by a 9-methyl-8,10-dioxodec-2-en-10-yl group at the nitrogen atom. Isolated from Penicillium citrinum and Penicillium brevicompactum, it exhibits antifungal activity.
(1S)-2-[(2S,5R)-2-(Aminomethyl)-5-ethynylpyrrolidin-1-YL]-1-cyclopentyl-2-oxoethanamine
C14H23N3O (249.18410279999998)
trans-4-[Dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide
1-Deoxy-11beta-hydroxypentalenate
A hydroxy monocarboxylic acid anion that is the conjugate base of 1-deoxy-11beta-hydroxypentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
8beta-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
6alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
8alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-4-hydroxycyclohex-1-ene-1-carboxylic acid
(7Z,10Z,13Z)-hexadecatrienoate
C16H25O2- (249.18544500000002)
A hexadecatrienoate that is the conjugate base of (7Z,10Z,13Z)-hexadecatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
7-Aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
7-Aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
(1S,2R,5R,9R)-9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylate
Lupanine(1+)
An organic cation that is the conjugate acid of lupanine, arising from protonation of the tertiary amino function; major species at pH 7.3.
Pentalenate
A hydroxy monocarboxylic acid anion that is the conjugate base of pentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
[2-(2,6-Dimethylanilino)-2-oxoethyl]-diethyl-methylammonium
5-butyl-4-hydroxy-3-methyl-6-(3-methylbut-2-enyl)-1H-pyridin-2-one
N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine
(E)-N-Trimethylsilyloxy-1-(4-methylphenyl)propanimine
3-(1-Methyl-2-pyrrolidinyl)-2-pyridinylamine, TMS derivative
(Z)-N-Trimethylsilyloxy-1-(4-methylphenyl)propanimine
1-[(2E,4E)-2,4-dodecadienoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
Hexadecatrienoate
A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of any hexadecatrienoic acid; major species at pH 7.3.
n-[(1as,4s,4as,7s,7ar,7br)-1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4-yl]carboximidic acid
(2e,4e)-1-(piperidin-1-yl)deca-2,4-diene-1,6-dione
(4ar,7ar)-2-[(5e)-hept-5-en-1-yl]-3-methyl-4ah,5h,6h,7h,7ah-pyrano[2,3-b]pyrrol-4-one
n-[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carboximidic acid
n-{1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4a-yl}carboximidic acid
n-{1-methyl-4-[(2e,4e)-6-methylhepta-2,4-dien-2-yl]cyclohexyl}carboximidic acid
n-[(1as,4r,4as,7s,7ar,7br)-1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4-yl]carboximidic acid
4-[(1s)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]butanimidamide
1-(1,6-dioxo-2e,4 e-decadienyl)piperidine
{"Ingredient_id": "HBIN000325","Ingredient_name": "1-(1,6-dioxo-2e,4 e-decadienyl)piperidine","Alias": "NA","Ingredient_formula": "C15H23NO2","Ingredient_Smile": "CCCCC(=O)C=CC=CC(=O)N1CCCCC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15189","TCMID_id": "6464","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}