
Organoheterocyclic compounds






































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Caffeine, 98.5%, specified according to the req. of USP/BP
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
PubChem CID | 2519 |
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CAS | 58-08-2 |
Molecular Weight (g/mol) | 194.19 |
ChEBI | CHEBI:27732 |
MDL Number | MFCD00005758 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
Molecular Formula | C8H10N4O2 |
Caffeine, Anhydrous, USP, Spectrum™ Chemical
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CAS: 58-08-2
CAS | 58-08-2 |
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Omeprazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 73590-58-6 Molecular Formula: C17H19N3O3S Molecular Weight (g/mol): 345.42 InChI Key: SUBDBMMJDZJVOS-UHFFFAOYNA-N IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole SMILES: COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C
CAS | 73590-58-6 |
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Molecular Weight (g/mol) | 345.42 |
SMILES | COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C |
IUPAC Name | 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole |
InChI Key | SUBDBMMJDZJVOS-UHFFFAOYNA-N |
Molecular Formula | C17H19N3O3S |
Fluorouracil, USP, 98-102%, Spectrum™ Chemical
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CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
CAS | 51-21-8 |
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Molecular Weight (g/mol) | 130.08 |
MDL Number | MFCD00006018 |
SMILES | FC1=CNC(=O)NC1=O |
IUPAC Name | 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione |
InChI Key | GHASVSINZRGABV-UHFFFAOYSA-N |
Molecular Formula | C4H3FN2O2 |
Povidone K-30, USP, Spectrum™ Chemical
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CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
CAS | 9003-39-8 |
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Molecular Weight (g/mol) | 111.14 |
MDL Number | MFCD01076626 |
SMILES | *-CC(-*)N1CCCC1=O |
IUPAC Name | 1-ethenylpyrrolidin-2-one |
InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
Molecular Formula | (C6H9NO)n |
Allopurinol, USP, 98-102%, Spectrum™ Chemical
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CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12
CAS | 315-30-0 |
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Molecular Weight (g/mol) | 136.11 |
MDL Number | MFCD00599413 |
SMILES | O=C1N=CN=C2NNC=C12 |
IUPAC Name | 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one |
InChI Key | OFCNXPDARWKPPY-UHFFFAOYSA-N |
Molecular Formula | C5H4N4O |
Piroxicam, USP, 97-103%, Spectrum™ Chemical
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CAS: 36322-90-4 Molecular Formula: C15H13N3O4S Molecular Weight (g/mol): 331.35 InChI Key: LDJVNWFKNMYYNT-FYWRMAATSA-N IUPAC Name: (3E)-3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione SMILES: CN1\C(=C(\O)NC2=CC=CC=N2)C(=O)C2=CC=CC=C2S1(=O)=O
CAS | 36322-90-4 |
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Molecular Weight (g/mol) | 331.35 |
SMILES | CN1\C(=C(\O)NC2=CC=CC=N2)C(=O)C2=CC=CC=C2S1(=O)=O |
IUPAC Name | (3E)-3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione |
InChI Key | LDJVNWFKNMYYNT-FYWRMAATSA-N |
Molecular Formula | C15H13N3O4S |
Praziquantel, USP, 98.5-101%, Spectrum™ Chemical
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CAS: 55268-74-1 Molecular Formula: C19H24N2O2 Molecular Weight (g/mol): 312.41 InChI Key: FSVJFNAIGNNGKK-UHFFFAOYNA-N IUPAC Name: 2-cyclohexanecarbonyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinolin-4-one SMILES: O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1
CAS | 55268-74-1 |
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Molecular Weight (g/mol) | 312.41 |
SMILES | O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1 |
IUPAC Name | 2-cyclohexanecarbonyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinolin-4-one |
InChI Key | FSVJFNAIGNNGKK-UHFFFAOYNA-N |
Molecular Formula | C19H24N2O2 |
Loratadine, USP, 98.5-101%, Spectrum™ Chemical
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CAS: 79794-75-5 Molecular Formula: C22H23ClN2O2 Molecular Weight (g/mol): 382.89 InChI Key: JCCNYMKQOSZNPW-UHFFFAOYSA-N IUPAC Name: ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carboxylate SMILES: CCOC(=O)N1CCC(CC1)=C1C2=CC=C(Cl)C=C2CCC2=CC=CN=C12
CAS | 79794-75-5 |
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Molecular Weight (g/mol) | 382.89 |
SMILES | CCOC(=O)N1CCC(CC1)=C1C2=CC=C(Cl)C=C2CCC2=CC=CN=C12 |
IUPAC Name | ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carboxylate |
InChI Key | JCCNYMKQOSZNPW-UHFFFAOYSA-N |
Molecular Formula | C22H23ClN2O2 |
Topiramate, USP, 98-102%, Spectrum™ Chemical
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CAS: 97240-79-4 Molecular Formula: C12H21NO8S Molecular Weight (g/mol): 339.36 InChI Key: KJADKKWYZYXHBB-XBWDGYHZSA-N IUPAC Name: [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,⁶]dodecan-6-yl]methyl sulfamate SMILES: CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
CAS | 97240-79-4 |
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Molecular Weight (g/mol) | 339.36 |
SMILES | CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |
IUPAC Name | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,⁶]dodecan-6-yl]methyl sulfamate |
InChI Key | KJADKKWYZYXHBB-XBWDGYHZSA-N |
Molecular Formula | C12H21NO8S |
Fenbendazole, USP, 98-101%, Spectrum™ Chemical
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CAS: 43210-67-9 Molecular Formula: C15H13N3O2S Molecular Weight (g/mol): 299.35 InChI Key: HDDSHPAODJUKPD-UHFFFAOYSA-N IUPAC Name: methyl N-[6-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate SMILES: COC(=O)NC1=NC2=CC=C(SC3=CC=CC=C3)C=C2N1
CAS | 43210-67-9 |
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Molecular Weight (g/mol) | 299.35 |
SMILES | COC(=O)NC1=NC2=CC=C(SC3=CC=CC=C3)C=C2N1 |
IUPAC Name | methyl N-[6-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate |
InChI Key | HDDSHPAODJUKPD-UHFFFAOYSA-N |
Molecular Formula | C15H13N3O2S |
Meloxicam, USP, 98-102%, Spectrum™ Chemical
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CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.40 MDL Number: MFCD00868752 InChI Key: DWMREKMVXIFPFM-ACCUITESSA-N IUPAC Name: (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione SMILES: CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O
CAS | 71125-38-7 |
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Molecular Weight (g/mol) | 351.40 |
MDL Number | MFCD00868752 |
SMILES | CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O |
IUPAC Name | (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione |
InChI Key | DWMREKMVXIFPFM-ACCUITESSA-N |
Molecular Formula | C14H13N3O4S2 |
Clioquinol, USP, 93-100.5%, Spectrum™ Chemical
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CAS: 130-26-7 Molecular Formula: C9H5ClINO Molecular Weight (g/mol): 305.50 InChI Key: QCDFBFJGMNKBDO-UHFFFAOYSA-N IUPAC Name: 5-chloro-7-iodoquinolin-8-ol SMILES: OC1=C2N=CC=CC2=C(Cl)C=C1I
CAS | 130-26-7 |
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Molecular Weight (g/mol) | 305.50 |
SMILES | OC1=C2N=CC=CC2=C(Cl)C=C1I |
IUPAC Name | 5-chloro-7-iodoquinolin-8-ol |
InChI Key | QCDFBFJGMNKBDO-UHFFFAOYSA-N |
Molecular Formula | C9H5ClINO |
Povidone, K-90, USP, Spectrum™ Chemical
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CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
CAS | 9003-39-8 |
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Molecular Weight (g/mol) | 111.14 |
MDL Number | MFCD01076626 |
SMILES | *-CC(-*)N1CCCC1=O |
IUPAC Name | 1-ethenylpyrrolidin-2-one |
InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
Molecular Formula | (C6H9NO)n |
Povidone K-30, USP, Spectrum™ Chemical
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CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
CAS | 9003-39-8 |
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Molecular Weight (g/mol) | 111.14 |
MDL Number | MFCD01076626 |
SMILES | *-CC(-*)N1CCCC1=O |
IUPAC Name | 1-ethenylpyrrolidin-2-one |
InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
Molecular Formula | (C6H9NO)n |