Exact Mass: 453.12439700000004
Exact Mass Matches: 453.12439700000004
Found 267 metabolites which its exact mass value is equals to given mass value 453.12439700000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cefcapene
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Danofloxacin Mesylate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Temafloxacin hydrochloride
C21H19ClF3N3O3 (453.10669700000005)
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)
C19H18N4NaO8 (453.10222880000003)
O-Methyl-4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate
C21H27NO10 (453.1634882000001)
O-Methyl-4-[(2,3,4-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate is a fully acetylated carbamate glycoside. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers differ in the orientation of the NH group with respect to the carbonyl group.
(beta-1-O-[N-(2-hydroxymethyl-3-chlorophenyl)-anthraniloyl]-D-glucupyranuronic acid)
C20H20ClNO9 (453.08265400000005)
(beta-1-O-[N-(2-hydroxymethyl-3-chlorophenyl)-anthraniloyl]-D-glucupyranuronic acid) belongs to the family of Glucuronides. These are compounds comprising the glucuronic acid linked to another substance via a glycosidic bond.
(beta-1-O-[N-(2-methyl-3-chlorophenyl-4-hydroxy)anthraniloyl]-D-glucupyranuronic acid)
C20H20ClNO9 (453.08265400000005)
(beta-1-O-[N-(2-methyl-3-chlorophenyl-4-hydroxy)anthraniloyl]-D-glucupyranuronic acid) belongs to the family of Glucuronides. These are compounds comprising the glucuronic acid linked to another substance via a glycosidic bond.
(beta-1-O-[N-(2-methyl-3-chlorophenyl-5-hydroxy) anthraniloyl]-D-glucupyranuronic acid
C20H20ClNO9 (453.08265400000005)
(beta-1-O-[N-(2-methyl-3-chlorophenyl-5-hydroxy) anthraniloyl]-D-glucupyranuronic acid belongs to the family of Glucuronides. These are compounds comprising the glucuronic acid linked to another substance via a glycosidic bond.
Endoxifen sulfate
C25H27NO5S (453.1609852000001)
Endoxifen sulfate is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
k-252b
C26H19N3O5 (453.13246440000006)
7-Hydroxyfluphenazine
C22H26F3N3O2S (453.16977320000007)
3-Amino-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}-N-Pyridin-3-Ylpyrazine-2-Carboxamide
Cefcapene
Cefovecin
Fluphenazine sulfoxide
C22H26F3N3O2S (453.16977320000007)
K252b
C26H19N3O5 (453.13246440000006)
D004791 - Enzyme Inhibitors
Ala Cys Phe Asn
Ala Cys Asn Phe
Ala Phe Cys Asn
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Cys Phe Asn Ala
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Cys Thr Cys Lys
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Phe Cys Gln Gly
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Phe Asn Cys Ala
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Gly Phe Cys Gln
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Lys Cys Cys Thr
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Fluphenazine (further oxidation of piperazine ring)
C22H26F3N3O2S (453.16977320000007)
1-isobutanol
C21H27NO10 (453.1634882000001)
N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine1-Methylethylester
C18H17F5NO5P (453.0764462000001)
butyl N-[4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophen-2-yl]sulfonylcarbamate
L-Norleucine, L-g-glutamyl-6-diazo-5-oxo-L-norleucyl-6-diazo-5-oxo-
O,O-Diethylthiophosphoryl (Z)-2-(2-aminothiazol-4-yl)-2-(tert-Butoxycarbonylmethoxyimino)acetate
4-METHOXYPHENYL-2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
C21H27NO10 (453.1634882000001)
3-((butyryloxy)methyl) 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
C21H21Cl2NO6 (453.07458660000003)
tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate
C21H27NO10 (453.1634882000001)
2-[[4-[(2-cyano-3-nitrophenyl)azo]-m-tolyl](2-acetoxyethyl)amino]ethyl acetate
dimethyl 5-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azoterephthalate
C21H19N5O7 (453.12844240000004)
4-[4-[4-(AMINOIMINOMETHYL)PHENYL]-1-PIPERAZINYL]-1-PIPERIDINEACETIC ACID TRIHYDROCHLORIDE
methyl 5-chloro-2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate
C21H24ClNO6S (453.10127940000007)
Cefovecin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Bancaris
C21H24ClNO4S2 (453.08352140000005)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
dimethyl 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]terephthalate
C21H19N5O7 (453.12844240000004)
Vodobatinib
C27H20ClN3O2 (453.12439700000004)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Oclacitinib maleate
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Axitirome
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
N-[4-amino-1-(2-chloroethyl)-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
C24H24ClN3O4 (453.14552540000005)
Thieno[3,2-B]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-YL]-amide
C21H19N5O3S2 (453.09292640000007)
(2s,3s)-3-{3-[2-Chloro-4-(Methylsulfonyl)phenyl]-1,2,4-Oxadiazol-5-Yl}-1-Cyclopentylidene-4-Cyclopropyl-1-Fluorobutan-2-Amine
C21H25ClFN3O3S (453.12891020000006)
[4,5-Diacetyloxy-6-[4-[(methoxycarbonylamino)methyl]phenoxy]-2-methyloxan-3-yl] acetate
C21H27NO10 (453.1634882000001)
Flavin mononucleotide(3-)
D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
[(1R,2R,3R,4S)-1-acetyloxy-2,4-dihydroxy-11-methanimidoyl-2-methyl-5,9,10-trioxo-1,3,4,6-tetrahydrobenzo[b]fluoren-4b-ylium-6-id-3-yl] acetate
C23H19NO9 (453.10597640000003)
7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(oxolan-2-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Farinamycin
C21H19N5O7 (453.12844240000004)
A natural product found in Streptomyces griseus.
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide
C26H19N3O5 (453.13246440000006)
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
C24H27N3O4S (453.1722182000001)
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(1,3-benzothiazol-2-yl)acetamide
C22H19N3O4S2 (453.08169340000006)
N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide
C26H19N3OS2 (453.09694840000003)
1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
C23H20ClN3O3S (453.09138400000006)
Ethyl 4-oxo-4-[(18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)amino]butanoate
C27H23N3O4 (453.16884780000004)
N-benzoylampicillin
C23H23N3O5S (453.13583480000005)
A penicillin that is the N-benzoyl derivative of ampicillin.
[2-Methyl-1-(2-phenylethyl)-3-imidazo[1,2-a]pyridin-4-iumyl]-diphenyl-sulfanylidenephosphorane
C28H26N2PS+ (453.15542260000007)
CID 23724790
C18H32ClN3O6S (453.17002420000006)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
C22H19N3O4S2 (453.08169340000006)
Methyl (1S,3S,4R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
2-[(3R,6aS,8R,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3S,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
C20H24ClN3O5S (453.11251240000007)
2-[(3S,6aS,8R,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3R,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
1-(3,5-dichlorophenyl)-3-[(2S,3S,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
C17H25Cl2N3O5S (453.0891900000001)
1-(3,5-dichlorophenyl)-3-[(2S,3R,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
C17H25Cl2N3O5S (453.0891900000001)
N-[(2R,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3R,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
2-[(3R,6aR,8S,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3R,6aR,8R,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
4-[(3aS,4R,9bS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
C27H23N3O4 (453.16884780000004)
4-[(3aR,4S,9bR)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
C27H23N3O4 (453.16884780000004)
N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3S,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
1-(3,5-dichlorophenyl)-3-[(2S,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
C17H25Cl2N3O5S (453.0891900000001)
1-(3,5-dichlorophenyl)-3-[(2R,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
C17H25Cl2N3O5S (453.0891900000001)
1-(3,5-dichlorophenyl)-3-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
C17H25Cl2N3O5S (453.0891900000001)
1-(3,5-dichlorophenyl)-3-[(2R,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
C17H25Cl2N3O5S (453.0891900000001)
N-[(2S,3R,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3R,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3S,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3S,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3R,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
2-[(3R,6aS,8S,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aR,8S,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aS,8S,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aR,8R,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
(2S,3S,3aR,9bR)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C22H23F4N3O3 (453.16754560000004)
(2R,3R,3aS,9bS)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C22H23F4N3O3 (453.16754560000004)
4-[(3aR,4R,9bR)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
C27H23N3O4 (453.16884780000004)
4-[(3aS,4S,9bS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
C27H23N3O4 (453.16884780000004)
Methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-methyl-3-oxo-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
C20H27N3O7S (453.15696320000006)
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] cyclohexa-1,4-diene-1-carboxylate
C17H20N5O8P (453.10494500000004)
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] cyclohexa-2,5-diene-1-carboxylate
C17H20N5O8P (453.10494500000004)
4,7-DI(4-Ethoxyphenyl)-6-phenyl-1,2,5-thiadiazolo(3,4-C)pyridine
(beta-1-O-[N-(2-hydroxymethyl-3-chlorophenyl)-anthraniloyl]-D-glucupyranuronic acid)
C20H20ClNO9 (453.08265400000005)
FMN(3-)
The trianion arising from deprotonation of the diphosphate hydroxy groups and the imide nitrogen of flavin mononucleotide (FMN). Major species at pH 7.3.
SB-612111 (hydrochloride)
SB-612111 hydrochloride hydrochloride is a novel and potent opiate receptor-like orphan receptor (ORL-1) antagonist with a high affinity for hORL-1 (Ki=0.33 nM). SB-612111 hydrochloride exhibits selectivity for μ-,?κ- and?δ-receptors with Ki values of?57.6 nM, 160.5 nM and 2109 nM, respecticely. SB-612111 hydrochloride effectively antagonizes the pronociceptive action of Nociceptin (HY-P0183) in an acute pain model[1].
(5e)-6-{2-[1-({2-carboxy-2-[(1-hydroxyethylidene)amino]ethyl}disulfanyl)butyl]-4-methylphenyl}hex-5-enoic acid
methyl 5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
methyl (1s,3s,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
4-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaene-3,18-diol
C27H23N3O4 (453.16884780000004)
methyl (1r,3r,4s,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(2s)-n-[(3s,4r,4ar,5r,6r)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-2-benzopyran-4-yl]-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}propanimidic acid
C17H25Cl2N3O7 (453.10694800000005)
(2r)-2-[(1-hydroxyethylidene)amino]-3-({4,5,9-trihydroxy-2-methyl-10-oxobenzo[b]fluoren-11-yl}sulfanyl)propanoic acid
C23H19NO7S (453.0882184000001)
(2r,4r,5s,6s)-5-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-4,16-diol
C27H23N3O4 (453.16884780000004)
(5s,6s,6as)-6a-hydroxy-1',5-dimethyl-2-[(methylsulfanyl)methyl]-2',3-dioxo-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-9-carboxylic acid
C23H23N3O5S (453.13583480000005)
methyl (1s,3s,4r,5r,7r,9r,11s,12s,13r)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(2s,3r,4r,6r)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-4,16-diol
C27H23N3O4 (453.16884780000004)
(1's,15's,26's,29'r)-27'-oxa-8',11',13',16',24'-pentaazaspiro[cyclopropane-1,10'-octacyclo[13.12.1.1¹,⁸.0²,⁷.0¹³,²⁶.0¹⁶,²⁵.0¹⁸,²³.0¹¹,²⁹]nonacosane]-2',4',6',18',20',22',24'-heptaene-9',14',17'-trione
C25H19N5O4 (453.14369740000006)
methyl (1s,3s,4r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
3-{[5-(4,8-dihydroxyquinazolin-2-yl)-2-hydroxyphenyl]amino}-2,4,5-trihydroxy-6-iminocyclohex-1-ene-1-carboximidic acid
C21H19N5O7 (453.12844240000004)
6a-hydroxy-1',5-dimethyl-2-[(methylsulfanyl)methyl]-2',3-dioxo-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-9-carboxylic acid
C23H23N3O5S (453.13583480000005)
(15s,16r,18r)-3,16-dihydroxy-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1¹⁵,¹⁸.0²,⁶.0⁷,²⁷.0⁸,¹³.0¹⁹,²⁶.0²⁰,²⁵]octacosa-1(26),2(6),3,7(27),8(13),9,11,20(25),21,23-decaene-16-carboxylic acid
C26H19N3O5 (453.13246440000006)
(3r,4r,5r)-3-{[5-(4,8-dihydroxyquinazolin-2-yl)-2-hydroxyphenyl]amino}-2,4,5-trihydroxy-6-iminocyclohex-1-ene-1-carboximidic acid
C21H19N5O7 (453.12844240000004)
(5s)-6a-hydroxy-1',5-dimethyl-2-[(methylsulfanyl)methyl]-2',3-dioxo-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-9-carboxylic acid
C23H23N3O5S (453.13583480000005)
(4s)-2-[(2s)-2-hydroxy-2-[(2r,4r)-2-[(4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]ethyl]-4-methyl-5h-1,3-thiazole-4-carboxylic acid
C19H23N3O4S3 (453.08506380000006)
(1e,2r,7s,14s,15s,16s)-25-chloro-7,15,16-trihydroxy-11-methoxy-13-oxa-4-azapentacyclo[12.7.3.1⁸,¹².0²,⁴.0¹⁵,¹⁹]pentacosa-1(22),8,10,12(25),18-pentaen-20,23-diyn-5-one
C24H20ClNO6 (453.0979090000001)
methyl (1r,3s,4r,7r,9r,11s)-5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(2r)-5-carbamimidamido-2-{[4-(6-hydroxy-1h-indole-3-carbonyloxy)phenyl]formamido}pentanoic acid
2-(2-hydroxy-2-{2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}ethyl)-4-methyl-5h-1,3-thiazole-4-carboxylic acid
C19H23N3O4S3 (453.08506380000006)
27'-oxa-8',11',13',16',24'-pentaazaspiro[cyclopropane-1,10'-octacyclo[13.12.1.1¹,⁸.0²,⁷.0¹³,²⁶.0¹⁶,²⁵.0¹⁸,²³.0¹¹,²⁹]nonacosane]-2',4',6',18',20',22',24'-heptaene-9',14',17'-trione
C25H19N5O4 (453.14369740000006)
n-[(4-{[(2s,3r,4r,5s,6s)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid
C21H27NO10 (453.1634882000001)
methyl 5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
2-amino-n-(1-{[3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-2-benzopyran-4-yl]-c-hydroxycarbonimidoyl}ethyl)propanimidic acid
C17H25Cl2N3O7 (453.10694800000005)
methyl (1r,3s,4r,5r,7r,9r,11s)-5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(3r,4r)-2-amino-5-{[5-(4,8-dihydroxyquinazolin-2-yl)-2-hydroxyphenyl]amino}-3,4-dihydroxy-6-oxocyclohex-1-ene-1-carboximidic acid
C21H19N5O7 (453.12844240000004)
n-[(4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid
C21H27NO10 (453.1634882000001)