Exact Mass: 616.2648
Exact Mass Matches: 616.2648
Found 52 metabolites which its exact mass value is equals to given mass value 616.2648,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Casopitant
4-(4-acetylpiperazin-1-yl)-N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
2-((2-Methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl 4-(2-(2-(9H-fluoren-9-yl)acetamido)ethyl)benzoate
2-(9H-Fluoren-9-yl)-N-[2-(4-{[2-({2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl}amino)ethoxy]carbonyl}phenyl)ethyl]ethanimidate
5,10,15,20-Tetraphenyl-21,22,23,24-tetrahydroporphyrin
2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11,13,15,17,19-decaene
Glu Pro Trp Trp
(4S)-4-amino-5-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
Glu Trp Pro Trp
(4S)-4-amino-4-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}butanoic acid
Glu Trp Trp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
Pro Glu Trp Trp
(4S)-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid
Pro Trp Glu Trp
(4S)-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanoic acid
Pro Trp Trp Glu
(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]pentanedioic acid
Trp Glu Pro Trp
(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
Trp Glu Trp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
Trp Pro Glu Trp
(4S)-4-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Trp Pro Trp Glu
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Trp Trp Glu Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
Trp Trp Pro Glu
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid
5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
Casopitant
CID 10232719
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
5,10,15,20-Tetraphenyl-22,24-dihydro-21H,23H-porphyrin
5,10,15,20-Tetraphenyl-22,24-dihydro-21H,23H-porphyrin
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-(4-fluorophenyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-(4-fluorophenyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
(R)-Casopitant
(R)-Casopitant
(R)-Casopitant ((R)-GW679769) is the isomer of Casopitant (HY-14405). Casopitant is a NK(1)-receptor antagonist. Casopitant can be used for the research of chemotherapy-induced nausea and vomiting[1][2].
(4as,5r,8ar)-5-{[(1r,4as,7s,8as)-7-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
(4as,5r,8ar)-5-{[(1r,4as,7s,8as)-7-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
10-{9-hydroxy-8-methoxy-3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-10-yl}-8-methoxy-3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-9-ol
10-{9-hydroxy-8-methoxy-3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-10-yl}-8-methoxy-3,3,5-trimethyl-11h-pyrano[3,2-a]carbazol-9-ol
10-benzyl-7,13-bis(1-hydroxyethyl)-4-methyl-16-(sec-butyl)-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol
10-benzyl-7,13-bis(1-hydroxyethyl)-4-methyl-16-(sec-butyl)-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol
[(1s,3r,6s,7r,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-4-oxohept-5-en-2-yl]-7-[(sulfooxy)methyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxidanesulfonic acid
[(1s,3r,6s,7r,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-4-oxohept-5-en-2-yl]-7-[(sulfooxy)methyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxidanesulfonic acid
(4s,7r,10s,13r,16s)-10-benzyl-16-[(2s)-butan-2-yl]-7,13-bis[(1s)-1-hydroxyethyl]-4-methyl-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol
(4s,7r,10s,13r,16s)-10-benzyl-16-[(2s)-butan-2-yl]-7,13-bis[(1s)-1-hydroxyethyl]-4-methyl-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol
(4as,5r,8ar)-5-{[(1s,4as,8as)-1-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
(4as,5r,8ar)-5-{[(1s,4as,8as)-1-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
14,15,16-trimethoxy-8-{14,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene
14,15,16-trimethoxy-8-{14,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene
(4as,5r,8ar)-5-{[(1r,4ar,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
(4as,5r,8ar)-5-{[(1r,4ar,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
(1r,3r,4s,5r,7s,8s,9r,10e,12s,13s,14r)-4-(acetyloxy)-8-(benzoyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl benzoate
(1r,3r,4s,5r,7s,8s,9r,10e,12s,13s,14r)-4-(acetyloxy)-8-(benzoyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl benzoate
(1r,3r,4s,5r,7s,8s,9r,10e,12s,13s,14s)-4-(acetyloxy)-8-(benzoyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl benzoate
(1r,3r,4s,5r,7s,8s,9r,10e,12s,13s,14s)-4-(acetyloxy)-8-(benzoyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl benzoate
(1r,4ar,5r,7s,8ar)-5-{[(1r,4ar,8as)-8a-(5,7-dihydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]methyl}-7-hydroxy-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carbaldehyde
(1r,4ar,5r,7s,8ar)-5-{[(1r,4ar,8as)-8a-(5,7-dihydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]methyl}-7-hydroxy-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carbaldehyde
4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-[(7-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl)methyl]-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-[(7-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl)methyl]-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-[(1-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl)methyl]-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-[(1-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl)methyl]-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
5-{[8a-(5,7-dihydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]methyl}-7-hydroxy-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carbaldehyde
5-{[8a-(5,7-dihydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]methyl}-7-hydroxy-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carbaldehyde
4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-{[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-{[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione
