Benzene and substituted derivatives
Benzene and substituted derivatives
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Capsaicin, USP, Spectrum™ Chemical
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CAS: 404-86-4 Molecular Formula: C18H27NO3 Molecular Weight (g/mol): 305.42 InChI Key: YKPUWZUDDOIDPM-SOFGYWHQSA-N IUPAC Name: (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide SMILES: COC1=CC(CNC(=O)CCCC\C=C\C(C)C)=CC=C1O
CAS | 404-86-4 |
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Molecular Weight (g/mol) | 305.42 |
SMILES | COC1=CC(CNC(=O)CCCC\C=C\C(C)C)=CC=C1O |
IUPAC Name | (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
InChI Key | YKPUWZUDDOIDPM-SOFGYWHQSA-N |
Molecular Formula | C18H27NO3 |
Eugenol, USP, Spectrum™ Chemical
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CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenol SMILES: COC1=CC(CC=C)=CC=C1O
CAS | 97-53-0 |
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Molecular Weight (g/mol) | 164.20 |
MDL Number | MFCD00008654 |
SMILES | COC1=CC(CC=C)=CC=C1O |
IUPAC Name | 2-methoxy-4-(prop-2-en-1-yl)phenol |
InChI Key | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
Molecular Formula | C10H12O2 |
Octisalate, USP, 95-105%, Spectrum™ Chemical
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CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O
CAS | 118-60-5 |
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Molecular Weight (g/mol) | 250.34 |
SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1O |
IUPAC Name | 2-ethylhexyl 2-hydroxybenzoate |
InChI Key | FMRHJJZUHUTGKE-UHFFFAOYNA-N |
Molecular Formula | C15H22O3 |
Benzocaine, USP, 98-102%, Spectrum™ Chemical
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CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1
CAS | 94-09-7 |
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Molecular Weight (g/mol) | 165.19 |
MDL Number | MFCD00007892 |
SMILES | CCOC(=O)C1=CC=C(N)C=C1 |
IUPAC Name | ethyl 4-aminobenzoate |
InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
Molecular Formula | C9H11NO2 |
Fluconazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.28 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol SMILES: OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F
CAS | 86386-73-4 |
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Molecular Weight (g/mol) | 306.28 |
SMILES | OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F |
IUPAC Name | 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol |
InChI Key | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
Molecular Formula | C13H12F2N6O |
Guaifenesin, USP, 98-102%, Spectrum™ Chemical
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CAS: 93-14-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00016873 InChI Key: HSRJKNPTNIJEKV-UHFFFAOYNA-N IUPAC Name: 3-(2-methoxyphenoxy)propane-1,2-diol SMILES: COC1=CC=CC=C1OCC(O)CO
CAS | 93-14-1 |
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Molecular Weight (g/mol) | 198.22 |
MDL Number | MFCD00016873 |
SMILES | COC1=CC=CC=C1OCC(O)CO |
IUPAC Name | 3-(2-methoxyphenoxy)propane-1,2-diol |
InChI Key | HSRJKNPTNIJEKV-UHFFFAOYNA-N |
Molecular Formula | C10H14O4 |
Aspirin, USP, 99.5-100.5%, Spectrum™ Chemical
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CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N IUPAC Name: 2-(acetyloxy)benzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O
CAS | 50-78-2 |
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Molecular Weight (g/mol) | 180.16 |
MDL Number | MFCD00002430 |
SMILES | CC(=O)OC1=CC=CC=C1C(O)=O |
IUPAC Name | 2-(acetyloxy)benzoic acid |
InChI Key | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
Molecular Formula | C9H8O4 |
Miconazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
CAS | 22916-47-8 |
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Molecular Weight (g/mol) | 416.12 |
MDL Number | MFCD00216019 |
SMILES | ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1 |
IUPAC Name | 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole |
InChI Key | BYBLEWFAAKGYCD-UHFFFAOYNA-N |
Molecular Formula | C18H14Cl4N2O |
Sulfasalazine, USP, 97-101.5%, Spectrum™ Chemical
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CAS: 599-79-1 Molecular Formula: C18H14N4O5S Molecular Weight (g/mol): 398.39 InChI Key: OQANPHBRHBJGNZ-BKUYFWCQSA-N IUPAC Name: (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid SMILES: OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
CAS | 599-79-1 |
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Molecular Weight (g/mol) | 398.39 |
SMILES | OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 |
IUPAC Name | (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid |
InChI Key | OQANPHBRHBJGNZ-BKUYFWCQSA-N |
Molecular Formula | C18H14N4O5S |
Glyburide, USP, 98-102%, Spectrum™ Chemical
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CAS: 10238-21-8 Molecular Formula: C23H28ClN3O5S Molecular Weight (g/mol): 494.00 InChI Key: ZNNLBTZKUZBEKO-UHFFFAOYSA-N IUPAC Name: 5-chloro-N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-2-methoxybenzamide SMILES: COC1=CC=C(Cl)C=C1C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
CAS | 10238-21-8 |
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Molecular Weight (g/mol) | 494.00 |
SMILES | COC1=CC=C(Cl)C=C1C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 |
IUPAC Name | 5-chloro-N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-2-methoxybenzamide |
InChI Key | ZNNLBTZKUZBEKO-UHFFFAOYSA-N |
Molecular Formula | C23H28ClN3O5S |
Mesalamine, USP, 98.5-101.5%, Spectrum™ Chemical
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CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: NC1=CC=C(O)C(=C1)C(O)=O
CAS | 89-57-6 |
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Molecular Weight (g/mol) | 153.14 |
SMILES | NC1=CC=C(O)C(=C1)C(O)=O |
IUPAC Name | 5-amino-2-hydroxybenzoic acid |
InChI Key | KBOPZPXVLCULAV-UHFFFAOYSA-N |
Molecular Formula | C7H7NO3 |
Glipizide, USP, 98-102%, Spectrum™ Chemical
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CAS: 29094-61-9 Molecular Formula: C21H27N5O4S Molecular Weight (g/mol): 445.54 InChI Key: ZJJXGWJIGJFDTL-UHFFFAOYSA-N IUPAC Name: N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide SMILES: CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
CAS | 29094-61-9 |
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Molecular Weight (g/mol) | 445.54 |
SMILES | CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 |
IUPAC Name | N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide |
InChI Key | ZJJXGWJIGJFDTL-UHFFFAOYSA-N |
Molecular Formula | C21H27N5O4S |
Furosemide, USP, 98-102%, Spectrum™ Chemical
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CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.74 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N IUPAC Name: 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid SMILES: NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl
CAS | 54-31-9 |
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Molecular Weight (g/mol) | 330.74 |
SMILES | NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl |
IUPAC Name | 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid |
InChI Key | ZZUFCTLCJUWOSV-UHFFFAOYSA-N |
Molecular Formula | C12H11ClN2O5S |
Atenolol, USP, 98-102%, Spectrum™ Chemical
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CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.34 InChI Key: METKIMKYRPQLGS-UHFFFAOYNA-N IUPAC Name: 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide SMILES: CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1
CAS | 29122-68-7 |
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Molecular Weight (g/mol) | 266.34 |
SMILES | CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 |
IUPAC Name | 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide |
InChI Key | METKIMKYRPQLGS-UHFFFAOYNA-N |
Molecular Formula | C14H22N2O3 |
Sildenafil Citrate, USP, 98-102%, Spectrum™ Chemical
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CAS: 171599-83-0 Molecular Formula: C28H38N6O11S Molecular Weight (g/mol): 666.70 InChI Key: DEIYFTQMQPDXOT-UHFFFAOYSA-N IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CCCC1=NN(C)C2=C1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1
CAS | 171599-83-0 |
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Molecular Weight (g/mol) | 666.70 |
SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CCCC1=NN(C)C2=C1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1 |
IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid; 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one |
InChI Key | DEIYFTQMQPDXOT-UHFFFAOYSA-N |
Molecular Formula | C28H38N6O11S |