Exact Mass: 589.1591

Exact Mass Matches: 589.1591

Found 34 metabolites which its exact mass value is equals to given mass value 589.1591, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-D-allose

dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose

C19H33N3O14P2 (589.1438)


   
   
   

Neoaplaminone sulfate

Neoaplaminone sulfate

C26H40BrNO7S (589.1709)


   
   

Pinaverium bromide

L-Pinaverium bromide

C26H41Br2NO4 (589.1402)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

RS 39604 hydrochloride

RS 39604 hydrochloride

C26H37Cl2N3O6S (589.178)


   

O-benzyl-L-histidine bis(toluene-p-sulphonate)

O-benzyl-L-histidine bis(toluene-p-sulphonate)

C27H31N3O8S2 (589.1552)


   

Uridylyl-2-5-phospho-guanosine

Uridylyl-2-5-phospho-guanosine

C19H24N7O13P (589.117)


   

Exicorilant

Exicorilant

C26H23F4N7O3S (589.1519)


C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C183052 - Glucocorticoid Receptor Antagonist C147908 - Hormone Therapy Agent

   

Rodatristat ethyl

Rodatristat ethyl

C29H31ClF3N5O3 (589.2067)


C471 - Enzyme Inhibitor

   

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

C29H27ClF3N3O5 (589.1591)


   

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

C29H27ClF3N3O5 (589.1591)


   

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

C29H27ClF3N3O5 (589.1591)


   

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

C29H27ClF3N3O5 (589.1591)


   

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

C29H27ClF3N3O5 (589.1591)


   

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

C29H27ClF3N3O5 (589.1591)


   

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

C29H27ClF3N3O5 (589.1591)


   

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C27H32Cl2F3N3O4 (589.1722)


   

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C27H32Cl2F3N3O4 (589.1722)


   

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C27H32Cl2F3N3O4 (589.1722)


   

N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C27H32Cl2F3N3O4 (589.1722)


   

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C27H32Cl2F3N3O4 (589.1722)


   

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C27H32Cl2F3N3O4 (589.1722)


   

N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

C27H32Cl2F3N3O4 (589.1722)


   

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

C29H27ClF3N3O5 (589.1591)


   

Glucuronoxylan D-glucuronate

Glucuronoxylan D-glucuronate

C21H33O19- (589.1616)


   

2-amino-4-{[2-({4-[3-(carboxymethyl)-4,6-dihydroxy-2-methoxyphenyl]-3-hydroxy-2-methylbutan-2-yl}sulfanyl)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

2-amino-4-{[2-({4-[3-(carboxymethyl)-4,6-dihydroxy-2-methoxyphenyl]-3-hydroxy-2-methylbutan-2-yl}sulfanyl)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

C24H35N3O12S (589.1941)


   

dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose

dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose

C19H33N3O14P2 (589.1438)


   

6H05 (TFA)

6H05 (TFA)

C22H31ClF3N3O4S3 (589.1117)


6H05 TFA is a selective, and allosteric inhibitor of oncogenic mutant K-Ras(G12C). IC50 value: Target: K-Ras G12C 6H05 gives the greatest degree of modification, which allosterically modifies the oncogenic G12C mutant of highly homologous protein H-Ras without affecting wild-type K-Ras [1]. 6H05 can be used as an intermediate for the synthesis of other oncogenic K-Ras(G12C) inhibitors [2].

   

(1r,8s,13r,14r,17r,26r)-12,13,25,26-tetrahydroxy-8,9,9-trimethyl-1,14-bis(methylsulfanyl)-7-oxa-3,16,18-triazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹⁰.0¹⁷,²⁵.0¹⁹,²⁴]hexacosa-6(10),19,21,23-tetraene-2,11,15-trione

(1r,8s,13r,14r,17r,26r)-12,13,25,26-tetrahydroxy-8,9,9-trimethyl-1,14-bis(methylsulfanyl)-7-oxa-3,16,18-triazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹⁰.0¹⁷,²⁵.0¹⁹,²⁴]hexacosa-6(10),19,21,23-tetraene-2,11,15-trione

C27H31N3O8S2 (589.1552)


   

12,13,25,26-tetrahydroxy-8,9,9-trimethyl-1,14-bis(methylsulfanyl)-7-oxa-3,16,18-triazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹⁰.0¹⁷,²⁵.0¹⁹,²⁴]hexacosa-6(10),19,21,23-tetraene-2,11,15-trione

12,13,25,26-tetrahydroxy-8,9,9-trimethyl-1,14-bis(methylsulfanyl)-7-oxa-3,16,18-triazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹⁰.0¹⁷,²⁵.0¹⁹,²⁴]hexacosa-6(10),19,21,23-tetraene-2,11,15-trione

C27H31N3O8S2 (589.1552)


   

{3-bromo-4-[2-(dimethylamino)ethyl]-5-(11-hydroxy-3,7,11-trimethyl-8-oxododeca-2,9-dien-1-yl)-2-methoxyphenyl}oxidanesulfonic acid

{3-bromo-4-[2-(dimethylamino)ethyl]-5-(11-hydroxy-3,7,11-trimethyl-8-oxododeca-2,9-dien-1-yl)-2-methoxyphenyl}oxidanesulfonic acid

C26H40BrNO7S (589.1709)


   

{3-bromo-4-[2-(dimethylamino)ethyl]-5-[(2e,7r,9e)-11-hydroxy-3,7,11-trimethyl-8-oxododeca-2,9-dien-1-yl]-2-methoxyphenyl}oxidanesulfonic acid

{3-bromo-4-[2-(dimethylamino)ethyl]-5-[(2e,7r,9e)-11-hydroxy-3,7,11-trimethyl-8-oxododeca-2,9-dien-1-yl]-2-methoxyphenyl}oxidanesulfonic acid

C26H40BrNO7S (589.1709)