Phenylpropanoids and polyketides
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Chrysophenine sodium salt, Thermo Scientific Chemicals
CAS: 2870-32-8 Molecular Formula: C30H26N4Na2O8S2 Molecular Weight (g/mol): 680.66 MDL Number: MFCD00007488 InChI Key: YQMJDPHTMKUEHG-RPKDOIGLSA-L Synonym: chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp PubChem CID: 54603156 IUPAC Name: sodium;5-[(4-ethoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid SMILES: [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O
| PubChem CID | 54603156 |
|---|---|
| CAS | 2870-32-8 |
| Molecular Weight (g/mol) | 680.66 |
| MDL Number | MFCD00007488 |
| SMILES | [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O |
| Synonym | chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp |
| IUPAC Name | sodium;5-[(4-ethoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid |
| InChI Key | YQMJDPHTMKUEHG-RPKDOIGLSA-L |
| Molecular Formula | C30H26N4Na2O8S2 |
Montelukast Sodium Hydrate 98.0+%, TCI America™
CAS: 151767-02-1 Molecular Formula: C35H35ClNNaO3S Molecular Weight (g/mol): 608.17 MDL Number: MFCD00931431 InChI Key: LBFBRXGCXUHRJY-HKHDRNBDSA-M Synonym: montelukast sodium,singulair,montair,unii-u1o3j18sfl,montelukast sodium usan,montelukast na,montelukast sodium salt,u1o3j18sfl,singulair tn PubChem CID: 23663996 ChEBI: CHEBI:6993 IUPAC Name: sodium 2-[1-({[(1R)-1-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetate SMILES: [Na+].CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(\C=C\C2=CC=C3C=CC(Cl)=CC3=N2)=C1
| PubChem CID | 23663996 |
|---|---|
| CAS | 151767-02-1 |
| Molecular Weight (g/mol) | 608.17 |
| ChEBI | CHEBI:6993 |
| MDL Number | MFCD00931431 |
| SMILES | [Na+].CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(\C=C\C2=CC=C3C=CC(Cl)=CC3=N2)=C1 |
| Synonym | montelukast sodium,singulair,montair,unii-u1o3j18sfl,montelukast sodium usan,montelukast na,montelukast sodium salt,u1o3j18sfl,singulair tn |
| IUPAC Name | sodium 2-[1-({[(1R)-1-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetate |
| InChI Key | LBFBRXGCXUHRJY-HKHDRNBDSA-M |
| Molecular Formula | C35H35ClNNaO3S |
Loxoprofen Sodium Salt Dihydrate 98.0+%, TCI America™
CAS: 226721-96-6 Molecular Formula: C15H21NaO5 Molecular Weight (g/mol): 304.318 MDL Number: MFCD01745788 InChI Key: BAZQYVYVKYOAGO-UHFFFAOYSA-M Synonym: Sodium 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionate, 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid Sodium Salt PubChem CID: 23674745 ChEBI: CHEBI:31786 IUPAC Name: sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate;dihydrate SMILES: CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].O.O.[Na+]
| PubChem CID | 23674745 |
|---|---|
| CAS | 226721-96-6 |
| Molecular Weight (g/mol) | 304.318 |
| ChEBI | CHEBI:31786 |
| MDL Number | MFCD01745788 |
| SMILES | CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].O.O.[Na+] |
| Synonym | Sodium 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionate, 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid Sodium Salt |
| IUPAC Name | sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate;dihydrate |
| InChI Key | BAZQYVYVKYOAGO-UHFFFAOYSA-M |
| Molecular Formula | C15H21NaO5 |
Sodium 3-(4-Hydroxy-3-methoxyphenyl)lactate 99.0+%, TCI America™
CAS: 77305-02-3 Molecular Formula: C10H11NaO5 Molecular Weight (g/mol): 234.183 MDL Number: MFCD00056719 InChI Key: VYPSMFXPMZZSSK-UHFFFAOYSA-M Synonym: 3-(4-Hydroxy-3-methoxyphenyl)lactic Acid Sodium Salt, Sodium 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionate, 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionic Acid Sodium Salt PubChem CID: 44630328 IUPAC Name: sodium;2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate SMILES: COC1=C(C=CC(=C1)CC(C(=O)[O-])O)O.[Na+]
| PubChem CID | 44630328 |
|---|---|
| CAS | 77305-02-3 |
| Molecular Weight (g/mol) | 234.183 |
| MDL Number | MFCD00056719 |
| SMILES | COC1=C(C=CC(=C1)CC(C(=O)[O-])O)O.[Na+] |
| Synonym | 3-(4-Hydroxy-3-methoxyphenyl)lactic Acid Sodium Salt, Sodium 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionate, 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionic Acid Sodium Salt |
| IUPAC Name | sodium;2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate |
| InChI Key | VYPSMFXPMZZSSK-UHFFFAOYSA-M |
| Molecular Formula | C10H11NaO5 |
Sodium Flavonol-2'-sulfonate Hydrate 98.0+%, TCI America™
CAS: 77125-87-2 Molecular Formula: C15H9NaO6S Molecular Weight (g/mol): 340.281 MDL Number: MFCD00059757 InChI Key: BAUFCGCZFJQCFG-UHFFFAOYSA-M Synonym: 3-Hydroxyflavone-2′C-sulfonic Acid Sodium Salt, Flavonol-2′C-sulfonic Acid Sodium Salt PubChem CID: 44630295 IUPAC Name: sodium;2-(3-hydroxy-4-oxochromen-2-yl)benzenesulfonate SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+]
| PubChem CID | 44630295 |
|---|---|
| CAS | 77125-87-2 |
| Molecular Weight (g/mol) | 340.281 |
| MDL Number | MFCD00059757 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+] |
| Synonym | 3-Hydroxyflavone-2′C-sulfonic Acid Sodium Salt, Flavonol-2′C-sulfonic Acid Sodium Salt |
| IUPAC Name | sodium;2-(3-hydroxy-4-oxochromen-2-yl)benzenesulfonate |
| InChI Key | BAUFCGCZFJQCFG-UHFFFAOYSA-M |
| Molecular Formula | C15H9NaO6S |
| CAS | 3368-04-5 |
|---|---|
| MDL Number | MFCD00016969 |
Disodium 4,4'-Dinitrostilbene-2,2'-disulfonate 98.0+%, TCI America™
CAS: 3709-43-1 Molecular Formula: C14H8N2Na2O10S2 Molecular Weight (g/mol): 474.32 MDL Number: MFCD00024929 InChI Key: SDCDTWFAOKXZHD-SEPHDYHBSA-L PubChem CID: 21116162 IUPAC Name: disodium 5-nitro-2-[(1E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzene-1-sulfonate SMILES: [Na+].[Na+].[O-][N+](=O)C1=CC=C(\C=C\C2=CC=C(C=C2S([O-])(=O)=O)[N+]([O-])=O)C(=C1)S([O-])(=O)=O
| PubChem CID | 21116162 |
|---|---|
| CAS | 3709-43-1 |
| Molecular Weight (g/mol) | 474.32 |
| MDL Number | MFCD00024929 |
| SMILES | [Na+].[Na+].[O-][N+](=O)C1=CC=C(\C=C\C2=CC=C(C=C2S([O-])(=O)=O)[N+]([O-])=O)C(=C1)S([O-])(=O)=O |
| IUPAC Name | disodium 5-nitro-2-[(1E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzene-1-sulfonate |
| InChI Key | SDCDTWFAOKXZHD-SEPHDYHBSA-L |
| Molecular Formula | C14H8N2Na2O10S2 |
Disodium 4,4'-Bis(2-sulfonatostyryl)biphenyl 97.0+%, TCI America™
CAS: 27344-41-8 Molecular Formula: C28H20Na2O6S2 Molecular Weight (g/mol): 562.56 MDL Number: MFCD00318874,MFCD00318874 InChI Key: PMPJQLCPEQFEJW-GNTLFSRWSA-L PubChem CID: 87075690 IUPAC Name: disodium 2-[(1Z)-2-{4'-[(1Z)-2-(2-sulfonatophenyl)ethenyl]-[1,1'-biphenyl]-4-yl}ethenyl]benzene-1-sulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1\C=C/C1=CC=C(C=C1)C1=CC=C(\C=C/C2=CC=CC=C2S([O-])(=O)=O)C=C1
| PubChem CID | 87075690 |
|---|---|
| CAS | 27344-41-8 |
| Molecular Weight (g/mol) | 562.56 |
| MDL Number | MFCD00318874,MFCD00318874 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1\C=C/C1=CC=C(C=C1)C1=CC=C(\C=C/C2=CC=CC=C2S([O-])(=O)=O)C=C1 |
| IUPAC Name | disodium 2-[(1Z)-2-{4'-[(1Z)-2-(2-sulfonatophenyl)ethenyl]-[1,1'-biphenyl]-4-yl}ethenyl]benzene-1-sulfonate |
| InChI Key | PMPJQLCPEQFEJW-GNTLFSRWSA-L |
| Molecular Formula | C28H20Na2O6S2 |
Chrysophenine, TCI America™
CAS: 2870-32-8 Molecular Formula: C30H26N4Na2O8S2 Molecular Weight (g/mol): 680.66 MDL Number: MFCD00007488 InChI Key: YQMJDPHTMKUEHG-RPKDOIGLSA-L Synonym: chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp PubChem CID: 54603156 IUPAC Name: disodium 5-[2-(4-ethoxyphenyl)diazen-1-yl]-2-[(1Z)-2-{4-[2-(4-ethoxyphenyl)diazen-1-yl]-2-sulfonatophenyl}ethenyl]benzene-1-sulfonate SMILES: [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O
| PubChem CID | 54603156 |
|---|---|
| CAS | 2870-32-8 |
| Molecular Weight (g/mol) | 680.66 |
| MDL Number | MFCD00007488 |
| SMILES | [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O |
| Synonym | chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp |
| IUPAC Name | disodium 5-[2-(4-ethoxyphenyl)diazen-1-yl]-2-[(1Z)-2-{4-[2-(4-ethoxyphenyl)diazen-1-yl]-2-sulfonatophenyl}ethenyl]benzene-1-sulfonate |
| InChI Key | YQMJDPHTMKUEHG-RPKDOIGLSA-L |
| Molecular Formula | C30H26N4Na2O8S2 |
Disodium 4-Amino-4'-nitrostilbene-2,2'-sulfonate 80.0+%, TCI America™
CAS: 6634-82-8 Molecular Formula: C14H12N2NaO8S2+ Molecular Weight (g/mol): 423.366 MDL Number: MFCD00143251 InChI Key: DVSCXUQCFDWMOE-TYYBGVCCSA-N PubChem CID: 23669643 IUPAC Name: sodium;5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.[Na+]
| PubChem CID | 23669643 |
|---|---|
| CAS | 6634-82-8 |
| Molecular Weight (g/mol) | 423.366 |
| MDL Number | MFCD00143251 |
| SMILES | C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.[Na+] |
| IUPAC Name | sodium;5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid |
| InChI Key | DVSCXUQCFDWMOE-TYYBGVCCSA-N |
| Molecular Formula | C14H12N2NaO8S2+ |
1,3-Diphenyl-1,3-propanedione, 98+%
CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
| PubChem CID | 8433 |
|---|---|
| CAS | 120-46-7 |
| Molecular Weight (g/mol) | 224.259 |
| ChEBI | CHEBI:75417 |
| MDL Number | MFCD00003085 |
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 |
| Synonym | dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc |
| IUPAC Name | 1,3-diphenylpropane-1,3-dione |
| InChI Key | NZZIMKJIVMHWJC-UHFFFAOYSA-N |
| Molecular Formula | C15H12O2 |
3',4',5,7-Tetrahydroxyflavone, 97%
CAS: 491-70-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.239 MDL Number: MFCD00017309 InChI Key: IQPNAANSBPBGFQ-UHFFFAOYSA-N Synonym: luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide PubChem CID: 5280445 ChEBI: CHEBI:15864 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
| PubChem CID | 5280445 |
|---|---|
| CAS | 491-70-3 |
| Molecular Weight (g/mol) | 286.239 |
| ChEBI | CHEBI:15864 |
| MDL Number | MFCD00017309 |
| SMILES | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| Synonym | luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| InChI Key | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| Molecular Formula | C15H10O6 |