Exact Mass: 413.09646900000007
Exact Mass Matches: 413.09646900000007
Found 163 metabolites which its exact mass value is equals to given mass value 413.09646900000007,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4-(2-Hydroxy-3-(tert-butylamino)propoxy)-3-iodo-1H-indole-2-carbonitrile
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Piperazine, 1-((1,5-bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methyl-
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
5-{2-Fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid
EGFR Inhibitor
Fosdevirine
Glucose lactate glutamate
C14H23NO13 (413.11693479999997)
1-Piperazinecarboxylic acid, 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (3R)-
3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester
2-methyl-3-hydroxybutanenitrile beta-D-glucopyranoside 6-O-gallate|supinanitriloside D
L-|A-Glutamyl-S-[(4-hydroxyphenyl)methyl]-L-cysteinylglycine
C17H23N3O7S (413.12566480000004)
(R)-2-hydroxy-2-methylbutanenitrile beta-D-glucopyranoside 6-O-gallate|(R)-lotaustralin 6-O-gallate|supinanitriloside C
2-hydroxymethylbutanenitrile beta-D-glucopyranoside 6-O-gallate|supinanitriloside A 6-O-gallate|supinanitriloside B
3-hydroxy-3-methylbutanenitrile beta-D-glucopyranoside 6-O-gallate|supinanitriloside E
S-(4-Hydroxybenzyl)glutathione
C17H23N3O7S (413.12566480000004)
S-(4-Hydroxybenzyl)glutathione is a natural product found in Gastrodia elata with data available. S-(4-Hydroxybenzyl)glutathione is a glutathione derivative. S-(4-Hydroxybenzyl)glutathione inhibits the in vitro binding of kainic acid to brain glutamate receptors, with an IC50 of 2 μM[1].
Ser-Trp-OH
C20H19N3O7 (413.12229440000004)
Trp-Ser-OH
C20H19N3O7 (413.12229440000004)
R306465
C19H19N5O4S (413.11576940000003)
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-chlorophenothiazin-10-yl)propan-1-one
C22H24ClN3OS (413.13285240000005)
(Rp)-1-(1S)-[(2-Diphenylphosphino)ferrocenyl]ethanamine
[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl][4-(3-methy lphenyl)-1-piperazinyl]methanone
2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-(phenylazo)thiophene-3-carbonitrile
C22H19N7S (413.14225740000006)
(2-dimethylaminoethyl)triphenylphosphonium bromide
C22H25BrNP (413.09078800000003)
5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
NU7441(KU-57788)
C25H19NO3S (413.1085584000001)
CJ-42794
C22H17ClFNO4 (413.08300840000004)
[7-(4-nitrooxybutoxy)-4-oxo-2-phenylchromen-5-yl] acetate
C21H19NO8 (413.11106140000004)
FLUORESCENT YELLOW AA223
C20H19N3O5S (413.1045364000001)
Bretylium tosylate
C18H24BrNO3S (413.0660174000001)
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BD - Antiarrhythmics, class iii C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Bretylium (tosylate) is an inhibitor of the presynaptic release of vasoconstrictor neurotransmitters. It is the sympathetic nerve and adrenergic ganglion blocking agent . (1) Bretylium tosylate inhibits adrenergic function presynaptically only after an initial release in neurotransmitter substance. (2) The reference for administration dose is 15 mg/kg (I.P).
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)
C17H21F6N3S (413.1360298000001)
4-hydroxy-alpha-[[[3-(4-methoxyphenyl)-1-methylpropyl]amino]methyl]-3-(methylsulphinyl)benzyl alcohol hydrochloride
C20H28ClNO4S (413.1427478000001)
N-(2-aminoethyl)ethane-1,2-diamine,2-(chloromethyl)oxirane,2-cyanoguanidine,sulfuric acid,hydrochloride
C9H25Cl2N7O5S (413.1014860000001)
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea(R,R-TUC)
C17H21F6N3S (413.1360298000001)
6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]-quinoline hydrochloride
C19H14ClF2N7 (413.09672180000007)
10-Methyl-9-(phenoxycarbonyl)acridinium fluorosulfonate
C21H16FNO5S (413.07331780000004)
(4-cyanobenzyl)triphenylphosphonium chloride
C26H21ClNP (413.1100066000001)
Fosdevirine
C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
2-(2,6-dichlorobenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
4-Methyl-3-nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester
C19H15N3O6S (413.06815300000005)
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
C21H23N3O4S (413.14091980000006)
5-{2-Fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid
3-Diphenol-6-nitro-3H-benzo[DE]isochromen-1-one
C24H15NO6 (413.08993300000003)
4-({4-[(4-Aminobut-2-ynyl)oxy]phenyl}sulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
(3r)-3-Cyclopentyl-7-[(4-Methylpiperazin-1-Yl)sulfonyl]-3,4-Dihydro-2h-1,2-Benzothiazine 1,1-Dioxide
N(6)-(dimethylallyl)adenosine 5-phosphate(2-)
C15H20N5O7P-2 (413.11003000000005)
15-Demethoxy-epsilon-rhodomycinone
C21H17O9- (413.08725319999996)
[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] 4-amino-5-(2-hydroxypropanoylperoxy)-5-oxopentanoate
C14H23NO13 (413.11693479999997)
6-[[(2-Ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
C21H21N2O5S- (413.11711160000004)
5-[(1,3-Benzodioxol-5-ylmethylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
C20H16FN3O4S (413.08455080000005)
2-[5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
C19H15N3O6S (413.06815300000005)
N-(4-acetylphenyl)-2-[[1-(3,5-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
C19H19N5O4S (413.11576940000003)
9,10-Dioxo-1-anthracenecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester
C25H19NO5 (413.12631640000006)
4-hydroxy-N-[[2-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)-3-indolylidene]amino]benzamide
C23H15N3O5 (413.10116600000003)
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
2-[1-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
C19H19N5O2S2 (413.09801139999996)
3-(2,5-dioxo-1-pyrrolidinyl)-N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamide
C24H19N3O4 (413.13754940000007)
6-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
C21H23N3O4S (413.14091980000006)
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
C21H23N3O4S (413.14091980000006)
4-[[(5-Methyl-3-isoxazolyl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
C21H14F3N3O3 (413.09872100000007)
N-(1,3-benzodioxol-5-ylmethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinazolinamine
C24H19N3O4 (413.13754940000007)
4-[(2E)-2-[1-[4-(Furan-2-ylmethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
C20H19N3O5S (413.1045364000001)
3-Acetyl-4a,6,7,12a-tetrahydroxy-9-methoxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
C21H17O9- (413.08725319999996)
methyl 1-(4-chlorophenyl)-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
C19H16ClN5O2S (413.07131860000004)
4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
C21H23N3O4S (413.14091980000006)
4-[4-[(2S,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
C21H23N3O4S (413.14091980000006)
4-[4-[(2R,3S,4S)-2-cyano-4-(hydroxymethyl)-1-methylsulfonylazetidin-3-yl]phenyl]-N,N-dimethylbenzamide
C21H23N3O4S (413.14091980000006)
4-[4-[(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
C21H23N3O4S (413.14091980000006)
4-[4-[(2R,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
C21H23N3O4S (413.14091980000006)
4-[4-[(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
C21H23N3O4S (413.14091980000006)
2-Amino-3-[(2-hexanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
C15H28NO10P (413.14507580000003)
2-Amino-3-[(3-butanoyloxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
C15H28NO10P (413.14507580000003)
3-[(3-Acetyloxy-2-heptanoyloxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid
C15H28NO10P (413.14507580000003)
methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
4-(2-Hydroxy-3-(tert-butylamino)propoxy)-3-iodo-1H-indole-2-carbonitrile
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
TAN-1612(1-)
An enolate resulting from the deprotonation of the hydroxy group of the enol moiety of TAN-1612.
(Rac)-NMDAR antagonist 1
C20H20BrN3O2 (413.07388000000003)
(Rac)-NMDAR antagonist 1 is the racemate of NMDAR antagonist 1. NMDAR antagonist 1 is a potent and orally bioavailable NR2B-selective NMDAR antagonist[1].
CBiPES (hydrochloride)
C21H20ClN3O2S (413.09646900000007)
CBiPES hydrochloride is a mGlu2 receptor positive allosteric modulator (EC50: 92.8 nM). CBiPES hydrochloride attenuates stress-induced hyperthermia and PCP-induced hyperlocomotor activity. CBiPES hydrochloride can be used for research of neurological disease[1][2].
HLI373 (dihydrochloride)
HLI373 dihydrochloride is an efficacious Hdm2 inhibitor. HLI373 dihydrochloride inhibits the ubiquitin ligase activity of Hdm2. HLI373 dihydrochloride is effective in inducing apoptosis of several tumor cells that are sensitive to DNA-damaging agents[1]. Antimalarial activity[2].
LUF6096
LUF6096, a potent allosteric enhancer of the adenosine A3 receptor, is able to allosterically enhance agonist binding. LUF6096 shows low orthosteric affinity for any of the adenosine receptors. LUF6096 shows protective effects in myocardial ischemia/reperfusion injury[1][2].
(2s)-2-amino-4-{[(1r)-1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-{[(4-hydroxyphenyl)methyl]sulfanyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid
C17H23N3O7S (413.12566480000004)
4-(4-hydroxyphenyl)-12-methyl-1,3-dioxo-2-oxa-7,12-diazatetraphene-8-carboximidic acid
C23H15N3O5 (413.10116600000003)
2-{[hydroxy(4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)methylidene]amino}-3-methylpentanoic acid
C21H19NO8 (413.11106140000004)
(s)-{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[(1s,3s,4s,5r,8s)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]octan-3-yl]acetic acid
C17H23N3O9 (413.14342280000005)
4,5,7-trihydroxy-n-(1-methoxy-3-methyl-1-oxobutan-2-yl)-9,10-dioxoanthracene-2-carboximidic acid
C21H19NO8 (413.11106140000004)
[(2r,3s,4s,5r,6s)-6-[(1-cyano-2-methylpropan-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
2-amino-4-{[1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-{[(4-hydroxyphenyl)methyl]sulfanyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid
C17H23N3O7S (413.12566480000004)
{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}({2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]octan-3-yl})acetic acid
C17H23N3O9 (413.14342280000005)
(2s)-2-{[(2s,3s)-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1,3-dihydroxybutylidene]amino}-5-(n-hydroxyformamido)pentanoic acid
C17H23N3O9 (413.14342280000005)
[(2r,3s,4s,5r,6r)-6-(2-cyano-2-ethylethoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
4,5,7-trihydroxy-n-[(2s)-1-methoxy-3-methyl-1-oxobutan-2-yl]-9,10-dioxoanthracene-2-carboximidic acid
C21H19NO8 (413.11106140000004)
5-{2-fluoro-5-[(1e)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl]phenyl}-1,2-oxazole-3-carboxylic acid
(2s,3s)-2-{[hydroxy(4,5,7-trihydroxy-9,10-dioxoanthracen-2-yl)methylidene]amino}-3-methylpentanoic acid
C21H19NO8 (413.11106140000004)
{6-[(1-cyano-1-methylpropan-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate
5-(2-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}-2-oxoacetyl)-2h-1,3-benzodioxole-4-carboxylic acid
C21H19NO8 (413.11106140000004)
[6-(2-cyano-2-ethylethoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[(2r,3s,4s,5r,6r)-6-[(2s)-2-cyano-2-ethylethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
{6-[(1-cyano-2-methylpropan-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate
[6-(1-cyano-1-methylpropoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
2-(4-fluorophenyl)-3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-5-one
{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[(1s,3s,4s,5r,8r)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]octan-3-yl]acetic acid
C17H23N3O9 (413.14342280000005)
[(2r,3s,4s,5r,6r)-6-[(1-cyano-1-methylpropan-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
2-(3-fluorophenyl)-3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-5-one
(1s,13s,15s)-7-bromo-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
methyl 3,4-dimethoxy-2-{5-oxo-2h,7h,8h-[1,3]dioxolo[4,5-g]isoquinoline-6-carbonyl}benzoate
C21H19NO8 (413.11106140000004)
[(2r,3s,4s,5r,6s)-6-[(1r)-1-cyano-1-methylpropoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[(2r,3s,4s,5r,6r)-6-{[(1r,2s)-1-cyano-1-methylpropan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(s)-{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}[(1s,3s,4s,5r,8r)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]octan-3-yl]acetic acid
C17H23N3O9 (413.14342280000005)