Exact Mass: 414.079436

Exact Mass Matches: 414.079436

Found 189 metabolites which its exact mass value is equals to given mass value 414.079436, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Asperuloside

(2aS-(2aalpha,4aalpha,5alpha,7balpha))-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent(cd)inden-4-ylmethyl acetate

C18H22O11 (414.11620619999997)


Asperuloside is a iridoid monoterpenoid glycoside isolated from Galium verum. It has a role as a metabolite. It is an iridoid monoterpenoid, a beta-D-glucoside, a monosaccharide derivative, an acetate ester and a gamma-lactone. Asperuloside is a natural product found in Lasianthus curtisii, Galium spurium, and other organisms with data available. See also: Galium aparine whole (part of). A iridoid monoterpenoid glycoside isolated from Galium verum. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1]. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1].

   

Pyrazosulfuron-ethyl

Ethyl 5-({[(4,6-dimethoxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulphonyl)-1-methyl-1H-pyrazole-4-carboxylic acid

C14H18N6O7S (414.09576380000004)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

Nafcillin

(2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C21H22N2O5S (414.12493620000004)


Nafcillin is only found in individuals that have used or taken this drug. It is a semi-synthetic antibiotic related to penicillin. [PubChem]Penicillinase-resistant penicillins exert a bactericidal action against penicillin-susceptible microorganisms during the state of active multiplication. All penicillins inhibit the biosynthesis of the bacterial cell wall. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3206

   
   

(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate

(6R,7R)-3-[(acetyloxy)methyl]-7-[(5-carboxy-1-hydroxy-5-oxopentylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C16H18N2O9S (414.07329780000003)


This compound belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.

   

Sulbenicillin

alpha-Sulfobenzylpenicillin

C16H18N2O7S2 (414.05553979999996)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams A penicillin antibiotic having a 6beta-[phenyl(sulfo)acetamido] side-chain. Same as: D08534 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Premithramycinone

Premithramycinone

C21H18O9 (414.0950778)


   

1-OH-Nogalamycinone

1-OH-Nogalamycinone

C21H18O9 (414.0950778)


   

Vorasidenib

Vorasidenib

C14H13ClF6N6 (414.079436)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C137826 - Isocitrate Dehydrogenase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent Vorasidenib (AG-881) is an orally available, brain penetrant second-generation dual mutant isocitrate dehydrogenases 1 and 2 (mIDH1/2) inhibitor. Vorasidenib (AG-881) exhibits nanomolar inhibition of (D)-2-hydroxyglutarate (D-2-HG), and the IC50 ranges of 0.04~22 nM against IDH1 R132C, IDH1 R132G, IDH1 R132H and IDH1 R132S and 7~14 nM against IDH2 R140Q and 130 nM against IDH2 R172K[1][2].

   

6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C21H18O9 (414.0950778)


   

5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide

(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O11 (414.11620619999997)


5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide

(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-3-methoxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O11 (414.11620619999997)


5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

Bis-(4-methylumbelliferyl)phosphate

bis[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]phosphinic acid

C20H15O8P (414.050452)


   

Apratastat

N-hydroxy-4-{4-[(4-hydroxybut-2-yn-1-yl)oxy]benzenesulfonyl}-2,2-dimethylthiomorpholine-3-carboxamide

C17H22N2O6S2 (414.0919232)


   

Asperuloside

(2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0,]undeca-1(10),5-dien-6-yl)methyl acetic acid

C18H22O11 (414.11620619999997)


   

Rangbatti

7-acetyl-6-ethyl-3,5,8-trihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid

C20H14O10 (414.05869440000004)


   

alpha-Sulfobenzylpenicillin

6-[(1-Hydroxy-2-phenyl-2-sulphoethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C16H18N2O7S2 (414.05553979999996)


   

Talniflumate

3-oxo-1,3-Dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid

C21H13F3N2O4 (414.08273740000004)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

Temocillin

6-{[2-carboxy-1-hydroxy-2-(thiophen-3-yl)ethylidene]amino}-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C16H18N2O7S2 (414.05553979999996)


   

3'-Deoxyderhamnosylmaysin

6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

C21H18O9 (414.0950778)


3-deoxyderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-deoxyderhamnosylmaysin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3-deoxyderhamnosylmaysin can be found in corn, which makes 3-deoxyderhamnosylmaysin a potential biomarker for the consumption of this food product.

   

Asterredione

(-)-Asterredione

C24H18N2O5 (414.1215658)


   

TAN-1612

TAN-1612

C21H18O9 (414.0950778)


A member of the class of tetracyclines with formula C21H18O9, originally isolated from Penicillium claviforme.

   

(+)-Mitorubrinic acid B

(+)-Mitorubrinic acid B

C21H18O9 (414.0950778)


   

pinnatifinoside A

(2R,3S,4S,5R) -4,5-Dihydro-3,4,5-trihydroxy-5- (hydroxymethyl) -2- (4-hydroxyphenyl) -spiro [ furan-2 (3H) ,8 (9H) - [ 4H ] furo [ 2,3-h ] [ 1 ] benzopyran ] -4-one

C21H18O9 (414.0950778)


   

Prodelphinidin B6

Prodelphinidin B6

C21H18O9 (414.0950778)


   

3-Deoxyderhamnosylmaysin

5,7,4-Trihydroxy-6- (6-deoxy-xylo-hexose-4-urosyl) flavone

C21H18O9 (414.0950778)


   

Sphagnorubin C

8-Hydroxy-2- (4-hydroxy-3-methoxyphenyl) -11-methoxy-9H-phenanthro [2,1-b] pyran-9-one

C25H18O6 (414.1103328)


   
   
   
   

N-Fructoryl cysteinylalanine + C2H5S

N-Fructoryl cysteinylalanine + C2H5S

C14H26N2O8S2 (414.1130516)


Annotation level-3

   

Tetra-Me ether-Distemonanthin

Tetra-Me ether-Distemonanthin

C21H18O9 (414.0950778)


   

N-methylwelwitindolinone B isothiocyanate

N-methylwelwitindolinone B isothiocyanate

C22H23ClN2O2S (414.1168688)


   

2-Hydroxy-dibenzothiophen-5.5-dioxyd

2-Hydroxy-dibenzothiophen-5.5-dioxyd

C24H14O3S2 (414.0384334)


   
   

(2R,3S,4R)-3,3,4,5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan

(2R,3S,4R)-3,3,4,5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan

C21H18O9 (414.0950778)


   

4beta-(chloromethyl)-3beta,4alpha-dihydroxy,8alpha-[(S)-2-carboxypropionyloxy]-1alphaH,5alphaH,6betaH,7alphaH-guaia-10(14),11(13)-dien-6,12-olide

4beta-(chloromethyl)-3beta,4alpha-dihydroxy,8alpha-[(S)-2-carboxypropionyloxy]-1alphaH,5alphaH,6betaH,7alphaH-guaia-10(14),11(13)-dien-6,12-olide

C19H23ClO8 (414.1081388)


   
   

5-Chloroisorotiorin|7-Epimer-Rubrorotiorin

5-Chloroisorotiorin|7-Epimer-Rubrorotiorin

C23H23ClO5 (414.12339380000003)


   
   

Adriamycin aglycone

Adriamycin aglycone

C21H18O9 (414.0950778)


   
   

6-(1-O-alpha-L-rhamano-pyranosyloxycarbonyl)-phenazine-1-dicarboxylic acid ester|izuminoside C

6-(1-O-alpha-L-rhamano-pyranosyloxycarbonyl)-phenazine-1-dicarboxylic acid ester|izuminoside C

C20H18N2O8 (414.10631079999996)


   
   

Asperuloside

NCGC00380739-01_C18H22O11_1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)-

C18H22O11 (414.11620619999997)


Asperuloside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Asperuloside is soluble (in water) and a very weakly acidic compound (based on its pKa). Asperuloside can be found in bilberry, which makes asperuloside a potential biomarker for the consumption of this food product. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1]. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1].

   

chaetoviridin E

chaetoviridin E

C23H23ClO5 (414.12339380000003)


An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbut-2-enoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum.

   

Me ester-Paeciloquinone B

Me ester-Paeciloquinone B

C21H18O9 (414.0950778)


   
   

(2R)-1-O-[hydroxy-((R)-2,3-dihydroxy-propyloxy)-phosphinoyl]-4-O-phosphono-myo-inositol|(2R)-1-O-[Hydroxy-((R)-2,3-dihydroxy-propyloxy)-phosphinyl]-4-O-phosphono-myo-inosit|Phosphorsaeure-((R)-2,3-dihydroxy-propylester)-((2R)-2c,3c,5c,6t-tetrahydroxy-4t-phosphonooxy-cyclohexyl-(1r)-ester)

(2R)-1-O-[hydroxy-((R)-2,3-dihydroxy-propyloxy)-phosphinoyl]-4-O-phosphono-myo-inositol|(2R)-1-O-[Hydroxy-((R)-2,3-dihydroxy-propyloxy)-phosphinyl]-4-O-phosphono-myo-inosit|Phosphorsaeure-((R)-2,3-dihydroxy-propylester)-((2R)-2c,3c,5c,6t-tetrahydroxy-4t-phosphonooxy-cyclohexyl-(1r)-ester)

C9H20O14P2 (414.032828)


   

13-O-methyl xestoquinol sulfate

13-O-methyl xestoquinol sulfate

C21H18O7S (414.0773198)


   
   
   
   

4-(cystein-S-yl)butyl desulfo-glucosinolate|glucorucolamine

4-(cystein-S-yl)butyl desulfo-glucosinolate|glucorucolamine

C14H26N2O8S2 (414.1130516)


   
   
   

(+)-mitorubrinic acid B|Mitorubrinic acid B

(+)-mitorubrinic acid B|Mitorubrinic acid B

C21H18O9 (414.0950778)


   

C19H18N4O7_9H-Purin-6-ol, 9-[1-(3-carboxyphenyl)-2,3-dideoxyheptodialdo-7,4-furanosyl]

NCGC00347753-02_C19H18N4O7_9H-Purin-6-ol, 9-[1-(3-carboxyphenyl)-2,3-dideoxyheptodialdo-7,4-furanosyl]-

C19H18N4O7 (414.1175438)


   

3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid

3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid

C19H18N4O7 (414.1175438)


   

3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid_major

3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid_major

C19H18N4O7 (414.1175438)


   

4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide

4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide

C13H19ClN2O7S2 (414.0322174)


   

Cys Cys Cys Ser

(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C12H22N4O6S3 (414.0701432)


   

Cys Cys Ser Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C12H22N4O6S3 (414.0701432)


   

Cys Ser Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C12H22N4O6S3 (414.0701432)


   

Ser Cys Cys Cys

(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C12H22N4O6S3 (414.0701432)


   

His-His-OH

(S)-2-(3-(2-(1H-imidazol-4-yl)ethoxy)-4-nitrobenzamido)-4-(1H-imidazol-4-yl)butanoic acid

C18H18N6O6 (414.1287768)


   
   
   

4,6-Bis(benzylsulfanyl)-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid

4,6-Bis(benzylsulfanyl)-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid

C20H18N2O2S3 (414.0530368)


   

Lariam

Mefloquine hydrochloride

C17H17ClF6N2O (414.0933534)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

   

1-diphenylphosphoryl-3,5-bis(trifluoromethyl)benzene

1-diphenylphosphoryl-3,5-bis(trifluoromethyl)benzene

C20H13F6OP (414.060817)


   

(3-METHOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE

(3-METHOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE

C22H24BrOP (414.0748044)


   

2-[4-(hydrazinecarbonyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide

2-[4-(hydrazinecarbonyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide

C18H18N6O4S (414.11101880000007)


   
   

1,1,3,3-Tetraphenyldisiloxane-1,3-diol

1,1,3,3-Tetraphenyldisiloxane-1,3-diol

C24H22O3Si2 (414.1107422)


   
   

Almora

Magnesium dihexonate

C12H22MgO14 (414.0860012)


Firming agent, flavour enhancer

   
   
   

2-Methylpropyl N-(2-chloropyridine-3-sulfonyl)-N-(3-Methoxy-5-Methylpyrazin-2-yl)carbamate

2-Methylpropyl N-(2-chloropyridine-3-sulfonyl)-N-(3-Methoxy-5-Methylpyrazin-2-yl)carbamate

C16H19ClN4O5S (414.0764634)


   

4-Bromotetraphenylsilane

4-Bromotetraphenylsilane

C24H19BrSi (414.0439314)


   
   

Pyrido[2,3-d]pyrimidine-6-carboxaldehyde,5-azido-1,2,3,4,7,8-hexahydro-8-methyl-2,4,7-trioxo-1,3-diphenyl-

Pyrido[2,3-d]pyrimidine-6-carboxaldehyde,5-azido-1,2,3,4,7,8-hexahydro-8-methyl-2,4,7-trioxo-1,3-diphenyl-

C21H14N6O4 (414.1076484)


   

(2-Carboxyethyl)(triphenyl)phosphonium bromide

(2-Carboxyethyl)(triphenyl)phosphonium bromide

C21H20BrO2P (414.038421)


   
   
   

temocillin

temocillin

C16H18N2O7S2 (414.05553979999996)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide

5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide

C19H18N4O5S (414.09978580000006)


   

Pazufloxacin mesylate

Pazufloxacin mesylate

C17H19FN2O7S (414.0896956)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones

   

Diethylene glycol bis(p-toluenesulfonate)

Diethylene glycol bis(p-toluenesulfonate)

C18H22O7S2 (414.0806902)


   

Sodium tetrakis(4-fluorophenyl)borate(1-)

Sodium tetrakis(4-fluorophenyl)borate(1-)

C24H16BF4Na (414.1178814)


   

5-BROMO-3-INDOLYL-2-ACETAMIDO-2-DEOXY-β-D-GLUCOPYRANOSE

5-BROMO-3-INDOLYL-2-ACETAMIDO-2-DEOXY-β-D-GLUCOPYRANOSE

C16H19BrN2O6 (414.0426414)


   

[2,3,5,6-Tetrafluoro-4-(methoxymethyl)phenyl]methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate

[2,3,5,6-Tetrafluoro-4-(methoxymethyl)phenyl]methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate

C17H16Cl2F4O3 (414.04125739999995)


   
   

(3-Bromophenyl)triphenylsilane

(3-Bromophenyl)triphenylsilane

C24H19BrSi (414.0439314)


   

4-Chloro-N-(4-chlorobenzoyl)-N-(4-methoxyphenyl)benzohydrazide

4-Chloro-N-(4-chlorobenzoyl)-N-(4-methoxyphenyl)benzohydrazide

C21H16Cl2N2O3 (414.05379259999995)


   

Monomethylauristatin D

Methyl [(6s)-4-(4-Chlorophenyl)-2,3,9-Trimethyl-6h-Thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepin-6-Yl]acetate

C20H19ClN4O2S (414.09171840000005)


   

Dapaconazole

Dapaconazole

C19H15Cl2F3N2O (414.0513476)


C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

(2-Methoxy-2-oxoethyl)triphenylphosphonium bromide

(2-Methoxy-2-oxoethyl)triphenylphosphonium bromide

C21H20BrO2P (414.038421)


   

1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]ethanone

1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]ethanone

C18H12F6N4O (414.09152539999997)


   

ethyl 5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate

ethyl 5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate

C20H13F3N4O3 (414.0939704)


   

(R)-1,4-Ditosyloxy-2-butanol

(R)-1,4-Ditosyloxy-2-butanol

C18H22O7S2 (414.0806902)


   

7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, methanesulfonate (1:1)

7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, methanesulfonate (1:1)

C17H19FN2O7S (414.0896956)


   

Apratastat

Apratastat

C17H22N2O6S2 (414.0919232)


C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C1970 - Matrix Metalloproteinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor

   

1,2-Anthracenedicarboxylic acid, 7-acetyl-6-ethyl-9,10-dihydro-3,5,8-trihydroxy-9,10-dioxo-

1,2-Anthracenedicarboxylic acid, 7-acetyl-6-ethyl-9,10-dihydro-3,5,8-trihydroxy-9,10-dioxo-

C20H14O10 (414.05869440000004)


   

Bis-(4-methylumbelliferyl)phosphate

Bis-(4-methylumbelliferyl)phosphate

C20H15O8P (414.050452)


   

Iodophenpropit

Iodophenpropit

C15H19IN4S (414.0375124)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists

   

Rubrorotiorin

Rubrorotiorin

C23H23ClO5 (414.12339380000003)


An azaphilone that is 6,6a-dihydro-8H-furo[2,3-h]isochromen-6,8(6aH)-dione substituted by an acetyl group at position 9, a chloro group a position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3 and a methyl group at position 6a. Isolated from Chaetomium cupreum, it exhibits antifungal activity.

   
   

[2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester

[2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester

C19H18N4O3S2 (414.08202780000005)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors

   

[5-Fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-YL)methyl]amino}carbonyl)phenoxy]acetic acid

[5-Fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-YL)methyl]amino}carbonyl)phenoxy]acetic acid

C17H10F4N2O4S (414.0297388)


   

9-(3-Iodobenzylamino)-1,2,3,4-tetrahydroacridine

9-(3-Iodobenzylamino)-1,2,3,4-tetrahydroacridine

C20H19IN2 (414.0592924)


   

4-Methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid

4-Methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid

C18H26N2O5S2 (414.12830660000003)


   

Bis(5-amidino-benzimidazolyl)methanone ZINC

Bis(5-amidino-benzimidazolyl)methanone ZINC

C17H18N8OZn (414.0894948)


   

2-[[4-Carboxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;iron(4+)

2-[[4-Carboxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;iron(4+)

C21H14FeN2O4+2 (414.0302914)


   

Talniflumate

Talniflumate

C21H13F3N2O4 (414.08273740000004)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

2-acetyl-3,4a,10,11,12a-pentahydroxy-8-methoxy-4a,12a-dihydrotetracene-1,12(4H,5H)-dione

2-acetyl-3,4a,10,11,12a-pentahydroxy-8-methoxy-4a,12a-dihydrotetracene-1,12(4H,5H)-dione

C21H18O9 (414.0950778)


   

cephalosporin C(1-)

cephalosporin C(1-)

C16H20N3O8S- (414.09710600000005)


Conjugate base of cephalosporin C.

   

validoxylamine A 7-phosphate(1-)

validoxylamine A 7-phosphate(1-)

C14H25NO11P- (414.116517)


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of validoxylamine A 7-phosphate; major species at pH 7.3.

   

2-O-sinapoyl-D-glucarate(2-)

2-O-sinapoyl-D-glucarate(2-)

C17H18O12-2 (414.0798228)


   
   

4-methylumbelliferyl-phospho-beta-D-glucopyranoside

4-methylumbelliferyl-phospho-beta-D-glucopyranoside

C17H19O10P-2 (414.0715804)


   

(4aR,12aR)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide

(4aR,12aR)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide

C20H16NO9- (414.0825026)


   

(1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid

(1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid

C21H18O9 (414.0950778)


   

6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C21H18O9 (414.0950778)


   

N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C19H21F3N2O3S (414.1224912)


   

2-(3,4-dimethoxyphenyl)-8-methoxy-4,4-dimethyl-5H-isothiazolo[5,4-c]quinoline-1-thione

2-(3,4-dimethoxyphenyl)-8-methoxy-4,4-dimethyl-5H-isothiazolo[5,4-c]quinoline-1-thione

C21H22N2O3S2 (414.10717819999996)


   

methyl [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate

methyl [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate

C20H19ClN4O2S (414.09171840000005)


   

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methylthio]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methylthio]acetamide

C21H19FN2O4S (414.10495060000005)


   

2-[(5-Bromo-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

2-[(5-Bromo-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

C19H19BrN4O2 (414.06912939999995)


   

N-(3-dibenzofuranyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

N-(3-dibenzofuranyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

C23H18N4O2S (414.1150408)


   

5-[5-(2,3-Dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

5-[5-(2,3-Dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

C21H22N2O5S (414.12493620000004)


   

4-(4-Acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester

4-(4-Acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester

C21H19ClN2O5 (414.09824340000006)


   

1-[[(4-Ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea

1-[[(4-Ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea

C17H17F3N4OS2 (414.07958279999997)


   

[2-({3-[(2-Hydroxybenzylidene)amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid

[2-({3-[(2-Hydroxybenzylidene)amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid

C19H14N2O5S2 (414.0344114)


   

1-(2,4-Dinitroanilino)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

1-(2,4-Dinitroanilino)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

C19H18N4O7 (414.1175438)


   

2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C17H18N8OS2 (414.1044938)


   

N-(5-methyl-3-isoxazolyl)-2-[(6-methyl-4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetamide

N-(5-methyl-3-isoxazolyl)-2-[(6-methyl-4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetamide

C19H18N4O3S2 (414.08202780000005)


   

(+)-malbrancheamide C(1+)

(+)-malbrancheamide C(1+)

C21H25BrN3O+ (414.118088)


   

(+)-isomalbrancheamide C(1+)

(+)-isomalbrancheamide C(1+)

C21H25BrN3O+ (414.118088)


   

4-(3,5-dichloro-4-pyridinyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide

4-(3,5-dichloro-4-pyridinyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide

C21H20Cl2N4O (414.101409)


   

2-Amino-4-[(4-bromophenyl)methylthio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

2-Amino-4-[(4-bromophenyl)methylthio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

C19H19BrN4S (414.0513714)


   

3-[4-Oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acid

3-[4-Oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acid

C18H14N4O4S2 (414.0456444)


   

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-furanylsulfonyl)piperazine

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-furanylsulfonyl)piperazine

C16H18N2O7S2 (414.05553979999996)


   

(5R)-3-(4-dibenzothiophenyl)-5-(3,4-dimethoxyphenyl)-1-cyclohex-2-enone

(5R)-3-(4-dibenzothiophenyl)-5-(3,4-dimethoxyphenyl)-1-cyclohex-2-enone

C26H22O3S (414.12895820000006)


   

4-(benzenesulonyl)-N-(2-oxoazepan-3-yl)thiophene-2-sulonamide

4-(benzenesulonyl)-N-(2-oxoazepan-3-yl)thiophene-2-sulonamide

C16H18N2O5S3 (414.0377818)


   

N-(2,4,6-trinitrophenyl)-betaAlaGlyGly

N-(2,4,6-trinitrophenyl)-betaAlaGlyGly

C13H14N6O10 (414.07713839999997)


   

(5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)amino]-oxomethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)amino]-oxomethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C21H22N2O5S (414.12493620000004)


   

1-[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

1-[(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

C21H23BrN2O2 (414.0942798)


   

1-[(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

1-[(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

C21H23BrN2O2 (414.0942798)


   

1-[(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

1-[(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

C21H23BrN2O2 (414.0942798)


   

disodium alpha-D,alpha-D-digalacturonate

disodium alpha-D,alpha-D-digalacturonate

C12H16Na2O13 (414.0386286)


   

4-[[5-(4-Fluorophenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile

4-[[5-(4-Fluorophenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile

C19H15FN4O2S2 (414.06204219999995)


   

(2S,5S,6R)-6-[[(2-ethoxy-1-naphthalenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5S,6R)-6-[[(2-ethoxy-1-naphthalenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C21H22N2O5S (414.12493620000004)


   
   

N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-fluorobenzamide

N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-fluorobenzamide

C22H17F3N2O3 (414.1191208)


   

3,4,5-Trihydroxy-6-(4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid

3,4,5-Trihydroxy-6-(4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid

C21H18O9 (414.0950778)


   

6-[[6-[(E)-2-carboxyethenyl]-4-methoxy-1,3-benzodioxol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[[6-[(E)-2-carboxyethenyl]-4-methoxy-1,3-benzodioxol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H18O12 (414.0798228)


   

S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] propanethioate

S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] propanethioate

C14H27N2O8PS (414.12256720000005)


   

(11S,13R,14S,15S,16R)-9,14,15-trihydroxy-13-(hydroxymethyl)-5-(4-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one

(11S,13R,14S,15S,16R)-9,14,15-trihydroxy-13-(hydroxymethyl)-5-(4-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one

C21H18O9 (414.0950778)


   

1,2-Diethynyl-1,1,2,2-tetraphenyldisilane

1,2-Diethynyl-1,1,2,2-tetraphenyldisilane

C28H22Si2 (414.12599720000003)


   

1,2-DI(Deuterioethynyl)-1,1,2,2-tetraphenyl-disilane

1,2-DI(Deuterioethynyl)-1,1,2,2-tetraphenyl-disilane

C28H22Si2 (414.12599720000003)


   

(2R,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2R,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C21H22N2O5S (414.12493620000004)


   

nafcillin

nafcillin

C21H22N2O5S (414.12493620000004)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Pyrazosulfuron-ethyl

Pyrazosulfuron-ethyl

C14H18N6O7S (414.09576380000004)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid

C16H18N2O9S (414.07329780000003)


A cephalosporin having an acetoxy group at the 3-position and a 5-carboxy-5-oxopentanamido group at the 7-position.

   

BMS-192548

BMS-192548

C21H18O9 (414.0950778)


A member of the class of tetracyclines with formula C21H18O9, originally isolated from Aspergillus niger.

   

5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide

5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide

C18H22O11 (414.11620619999997)


   

5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide

5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide

C18H22O11 (414.11620619999997)


   

2-(glutathion-S-yl)-1,4-hydroquinone(1-)

2-(glutathion-S-yl)-1,4-hydroquinone(1-)

C16H20N3O8S (414.09710600000005)


An S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the amino group of 2-(glutathion-S-yl)hydroquinone; major species at pH 7.3.

   
   
   
   

(S)-BAY 2965501

(S)-BAY 2965501

C20H19FN4O3S (414.1161836)


(S)-BAY 2965501 is the left-handed isomer of BAY 2965501 (HY-153343). BAY 2965501 is a potent and selective diacylglycerol kinase zeta (DGKζ) inhibitor. BAY 2965501 induces pERK activation. BAY 2965501 can be used for the research of cancer[1].

   

Clozapine N-oxide (dihydrochloride)

Clozapine N-oxide (dihydrochloride)

C18H21Cl3N4O (414.0780866)


Clozapine N-oxide dihydrochloride is a major metabolite of Clozapine and a human muscarinic designer receptors (DREADDs) agonist. Clozapine N-oxide dihydrochloride activates the DREADD receptor hM3Dq and hM4Di. Clozapine N-oxide dihydrochloride can cross the blood-brain barrier[1][2][3][4]. Clozapine is a potent dopamine antagonist and also a potent and selective muscarinic M4 receptor (EC50=11 nM) agonist[5][6].

   

3-{[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl]oxy}-2-methyl-3-oxopropanoic acid

3-{[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl]oxy}-2-methyl-3-oxopropanoic acid

C19H23ClO8 (414.1081388)


   

3',4',5-trihydroxy-5'-(hydroxymethyl)-2-(4-hydroxyphenyl)-9h-spiro[furo[2,3-h]chromene-8,2'-oxolan]-4-one

3',4',5-trihydroxy-5'-(hydroxymethyl)-2-(4-hydroxyphenyl)-9h-spiro[furo[2,3-h]chromene-8,2'-oxolan]-4-one

C21H18O9 (414.0950778)


   

4,12-bis[(2e)-but-2-en-2-yl]-5-chloro-6,14-dihydroxy-7,15-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

4,12-bis[(2e)-but-2-en-2-yl]-5-chloro-6,14-dihydroxy-7,15-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

C23H23ClO5 (414.12339380000003)


   

[(4r,7s,8s,11s)-2-oxo-8-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

[(4r,7s,8s,11s)-2-oxo-8-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

C18H22O11 (414.11620619999997)


   

15-hydroxy-11,18-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-5-yl acetate

15-hydroxy-11,18-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-5-yl acetate

C21H18O9 (414.0950778)


   

methyl 3-[5,6-dihydroxy-2-(methoxycarbonyl)-1-benzofuran-3-yl]-5,6-dihydroxy-1-benzofuran-2-carboxylate

methyl 3-[5,6-dihydroxy-2-(methoxycarbonyl)-1-benzofuran-3-yl]-5,6-dihydroxy-1-benzofuran-2-carboxylate

C20H14O10 (414.05869440000004)