Exact Mass: 631.2112242000001

Exact Mass Matches: 631.2112242000001

Found 29 metabolites which its exact mass value is equals to given mass value 631.2112242000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

tricaffeoyl spermidine

N1,N5,N10-tricaffeoyl spermidine

C34H37N3O9 (631.2529672000001)


   

Efonidipine

5-(5,5-Dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid, 2-(phenyl(phenylmethyl)amino) ethyl ester, p-oxide, hydrochloride

C34H38N3O7P (631.2447248)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D000077264 - Calcium-Regulating Hormones and Agents D045283 - Natriuretic Agents > D004232 - Diuretics D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

Elagolix

4-({2-[5-(2-fluoro-3-methoxyphenyl)-3-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl]-1-phenylethyl}amino)butanoic acid

C32H30F5N3O5 (631.2105509999999)


   

tricaffeoyl spermidine

3-(3,4-Dihydroxyphenyl)-N-{3-[3-(3,4-dihydroxyphenyl)-N-(4-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidate

C34H37N3O9 (631.2529672000001)


Tricaffeoyl spermidine belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Tricaffeoyl spermidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tricaffeoyl spermidine can be found in a number of food items such as black radish, breadfruit, persimmon, and jicama, which makes tricaffeoyl spermidine a potential biomarker for the consumption of these food products.

   

Elagolix Sodium

4-{[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl]-1-phenylethyl]amino}butanoic acid

C32H30F5N3O5 (631.2105509999999)


   

C27H37NO16

NCGC00385011-01_C27H37NO16_

C27H37NO16 (631.2112242000001)


   

5(6)-CARBOXY-X-RHODAMINE-N-HYDROXYSUCCINIMIDE ESTER

5(6)-CARBOXY-X-RHODAMINE-N-HYDROXYSUCCINIMIDE ESTER

C37H33N3O7 (631.2318388000001)


   

6-Carboxy-X-rhodamine succinimidyl ester,6-ROX, SE

6-Carboxy-X-rhodamine succinimidyl ester,6-ROX, SE

C37H33N3O7 (631.2318388000001)


   

elagolix

elagolix

C32H30F5N3O5 (631.2105509999999)


H - Systemic hormonal preparations, excl. sex hormones and insulins > H01 - Pituitary and hypothalamic hormones and analogues > H01C - Hypothalamic hormones > H01CC - Anti-gonadotropin-releasing hormones C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2092 - Gonadotropin Releasing Hormone Antagonist C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

   

4-Nitrophenyl 2-O-(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranoside

4-Nitrophenyl 2-O-(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranoside

C26H33NO17 (631.1748408000001)


   
   
   

3-(7-Benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1L6-[1,2,7]thiadiazepan-2-ylmethyl)-N-methyl-benzamide

3-(7-Benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1L6-[1,2,7]thiadiazepan-2-ylmethyl)-N-methyl-benzamide

C34H37N3O7S (631.2352092000001)


   

Thiethylperazine Maleate

2-Ethylmercapto-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine dimaleate

C30H37N3O8S2 (631.2021962000001)


D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Thiethylperazine dimaleate, a phenothiazine derivate, is an orally active and potent dopamine D2-receptor and histamine H1-receptor antagonist. Thiethylperazine dimaleate is also a selective ABCC1activator that reduces amyloid-β (Aβ) load in mice. Thiethylperazine dimaleate has anti-emetic, antipsychotic and antimicrobial effects[1][2][3].

   

Efonidipine

Efonidipine

C34H38N3O7P (631.2447248)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D000077264 - Calcium-Regulating Hormones and Agents D045283 - Natriuretic Agents > D004232 - Diuretics D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

Thiethylperazine dimaleate

2-Ethylmercapto-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine dimaleate

C30H37N3O8S2 (631.2021962000001)


D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Thiethylperazine dimaleate, a phenothiazine derivate, is an orally active and potent dopamine D2-receptor and histamine H1-receptor antagonist. Thiethylperazine dimaleate is also a selective ABCC1activator that reduces amyloid-β (Aβ) load in mice. Thiethylperazine dimaleate has anti-emetic, antipsychotic and antimicrobial effects[1][2][3].

   

3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

C31H33F4N5O5 (631.2417696)


   

3-(4-fluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

3-(4-fluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

C31H33F4N5O5 (631.2417696)


   

3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

C31H33F4N5O5 (631.2417696)


   

cis-Heme d hydroxychlorin gamma-spirolactone(1-)

cis-Heme d hydroxychlorin gamma-spirolactone(1-)

C34H31FeN4O5-3 (631.1643726)


   

trans-Heme d hydroxychlorin gamma-spirolactone(1-)

trans-Heme d hydroxychlorin gamma-spirolactone(1-)

C34H31FeN4O5-3 (631.1643726)


   
   

cis-Heme d hydroxychlorin gamma-spirolactone(1-)

cis-Heme d hydroxychlorin gamma-spirolactone(1-)

C34H31FeN4O5 (631.1643726)


A monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of cis-heme d hydroxychlorin gamma-spirolactone.

   

trans-Heme d hydroxychlorin gamma-spirolactone(1-)

trans-Heme d hydroxychlorin gamma-spirolactone(1-)

C34H31FeN4O5 (631.1643726)


A monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of trans-heme d hydroxychlorin gamma-spirolactone.

   

ASN007 (benzenesulfonate)

ASN007 (benzenesulfonate)

C28H31ClFN7O5S (631.1779838)


ASN007 (ERK-IN-3) benzenesulfonate is a potent and orally active inhibitor of ERK. ASN007 benzenesulfonate inhibits ERK1/2 with low single-digit nM IC50 values. ASN007 benzenesulfonate can be used for the research of cancers driven by RAS mutations[1].

   

RGX-104 (hydrochloride)

RGX-104 (hydrochloride)

C34H34Cl2F3NO3 (631.1867709999999)


RGX-104 hydrochloride is a small-molecule LXR agonist that modulates innate immunity via transcriptional activation of the ApoE gene.

   

(2e)-3-(3,4-dihydroxyphenyl)-n-{3-[(2e)-3-(3,4-dihydroxyphenyl)-n-(4-{[(2e)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidic acid

(2e)-3-(3,4-dihydroxyphenyl)-n-{3-[(2e)-3-(3,4-dihydroxyphenyl)-n-(4-{[(2e)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidic acid

C34H37N3O9 (631.2529672000001)


   

3-(3,4-dihydroxyphenyl)-n-{3-[3-(3,4-dihydroxyphenyl)-n-(4-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidic acid

3-(3,4-dihydroxyphenyl)-n-{3-[3-(3,4-dihydroxyphenyl)-n-(4-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}butyl)prop-2-enamido]propyl}prop-2-enimidic acid

C34H37N3O9 (631.2529672000001)