Exact Mass: 453.13338980000003
Exact Mass Matches: 453.13338980000003
Found 261 metabolites which its exact mass value is equals to given mass value 453.13338980000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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.
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
Fluphenazine sulfoxide
C22H26F3N3O2S (453.16977320000007)
Latrunculone A
C22H31NO7S (453.18211360000004)
A natural product found in Cacospongia mycofijiensis.
K252b
C26H19N3O5 (453.13246440000006)
D004791 - Enzyme Inhibitors
Ala Cys Phe Asn
Ala Cys Asn Phe
Ala Phe Cys Asn
Ala Phe Asn Cys
Ala Asn Cys Phe
Ala Asn Phe Cys
Cys Ala Phe Asn
Cys Ala Asn Phe
Cys Cys Asp Asn
Cys Cys Lys Thr
Cys Cys Asn Asp
Cys Cys Gln Thr
Cys Cys Thr Lys
Cys Cys Thr Gln
Cys Asp Cys Asn
Cys Asp Asn Cys
Cys Phe Ala Asn
Cys Phe Gly Gln
Cys Phe Asn Ala
Cys Phe Gln Gly
Cys Gly Phe Gln
Cys Gly Gln Phe
Cys Lys Cys Thr
Cys Lys Thr Cys
Cys Met Asn Ser
Cys Met Ser Asn
Cys Asn Ala Phe
Cys Asn Cys Asp
Cys Asn Asp Cys
Cys Asn Phe Ala
Cys Asn Met Ser
Cys Asn Ser Met
Cys Gln Cys Thr
Cys Gln Phe Gly
Cys Gln Gly Phe
Cys Gln Thr Cys
Cys Ser Met Asn
Cys Ser Asn Met
Cys Thr Cys Lys
Cys Thr Cys Gln
Cys Thr Lys Cys
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Asp Cys Cys Asn
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Asp Asn Cys Cys
Phe Ala Cys Asn
Phe Ala Asn Cys
Phe Cys Ala Asn
Phe Cys Gly Gln
Phe Cys Asn Ala
Phe Cys Gln Gly
Phe Gly Cys Gln
Phe Gly Gln Cys
Phe Asn Ala Cys
Phe Asn Cys Ala
Phe Gln Cys Gly
Phe Gln Gly Cys
Gly Cys Phe Gln
Gly Cys Gln Phe
Gly Phe Cys Gln
Gly Phe Gln Cys
Gly Gln Cys Phe
Gly Gln Phe Cys
Lys Cys Cys Thr
Lys Cys Thr Cys
Lys Thr Cys Cys
Met Cys Asn Ser
Met Cys Ser Asn
Met Asn Cys Ser
Met Asn Ser Cys
Met Ser Cys Asn
Met Ser Asn Cys
Asn Ala Cys Phe
Asn Ala Phe Cys
Asn Cys Ala Phe
Asn Cys Cys Asp
Asn Cys Asp Cys
Asn Cys Phe Ala
Asn Cys Met Ser
Asn Cys Ser Met
Asn Asp Cys Cys
Asn Phe Ala Cys
Asn Phe Cys Ala
Asn Met Cys Ser
Asn Met Ser Cys
Asn Ser Cys Met
Asn Ser Met Cys
Gln Cys Cys Thr
Gln Cys Phe Gly
Gln Cys Gly Phe
Gln Cys Thr Cys
Gln Phe Cys Gly
Gln Phe Gly Cys
Gln Gly Cys Phe
Gln Gly Phe Cys
Gln Thr Cys Cys
Ser Cys Met Asn
Ser Cys Asn Met
Ser Met Cys Asn
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Thr Cys Cys Lys
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Thr Gln Cys Cys
Fluphenazine (further oxidation of piperazine ring)
C22H26F3N3O2S (453.16977320000007)
1-isobutanol
C21H27NO10 (453.1634882000001)
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-
4-METHOXYPHENYL-2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
C21H27NO10 (453.1634882000001)
tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate
C21H27NO10 (453.1634882000001)
(2S,4S)-4-Diphenylphosphino 2-diphenylphosphinomethyl pyrrolidine
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)
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)
[(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)
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)
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
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)
1-[(1R)-2-[(3-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-propanone
C25H28ClN3O3 (453.1819088000001)
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)
1-[(1S)-1-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C25H28ClN3O3 (453.1819088000001)
1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-propanone
C25H28ClN3O3 (453.1819088000001)
1-[(1S)-2-[(3-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-propanone
C25H28ClN3O3 (453.1819088000001)
1-[(1R)-1-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C25H28ClN3O3 (453.1819088000001)
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-3-oxo-N,3-diphenylpropanamide
C26H23N5O3 (453.18008080000004)
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
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)
8,17-dihydroxy-17-(2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl)-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,9-diene-3,11-dione
C22H31NO7S (453.18211360000004)
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
2-[4,6-dihydroxy-5-(6-methoxy-3-methyl-6-oxohex-3-en-1-yl)-1-oxo-3h-isoindol-2-yl]-3-phenylpropanoic acid
C25H27NO7 (453.17874320000004)
(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)
(1r,4z,8s,9e,12s,15r,17r)-8,17-dihydroxy-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,9-diene-3,11-dione
C22H31NO7S (453.18211360000004)
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)
(2s)-2-{4,6-dihydroxy-5-[(3e)-6-methoxy-3-methyl-6-oxohex-3-en-1-yl]-1-oxo-3h-isoindol-2-yl}-3-phenylpropanoic acid
C25H27NO7 (453.17874320000004)
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)
(2s)-2-{4,6-dihydroxy-5-[(2e)-6-methoxy-3-methyl-6-oxohex-2-en-1-yl]-1-oxo-3h-isoindol-2-yl}-3-phenylpropanoic acid
C25H27NO7 (453.17874320000004)
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)
2-[4,6-dihydroxy-5-(6-methoxy-3-methyl-6-oxohex-2-en-1-yl)-1-oxo-3h-isoindol-2-yl]-3-phenylpropanoic acid
C25H27NO7 (453.17874320000004)
n-[(4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid
C21H27NO10 (453.1634882000001)