Organoheterocyclic compounds
Organoheterocyclic compounds
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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 |
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 |
Glycopyrrolate, USP, 98-102%, Spectrum™ Chemical
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CAS: 596-51-0 Molecular Formula: C19H28BrNO3 Molecular Weight (g/mol): 398.34 MDL Number: MFCD00072137 InChI Key: VPNYRYCIDCJBOM-UHFFFAOYNA-M IUPAC Name: 3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium bromide SMILES: [Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1
CAS | 596-51-0 |
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Molecular Weight (g/mol) | 398.34 |
MDL Number | MFCD00072137 |
SMILES | [Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1 |
IUPAC Name | 3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium bromide |
InChI Key | VPNYRYCIDCJBOM-UHFFFAOYNA-M |
Molecular Formula | C19H28BrNO3 |
Acyclovir, USP, 98-101%, Spectrum™ Chemical
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CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N IUPAC Name: 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1
CAS | 59277-89-3 |
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Molecular Weight (g/mol) | 225.21 |
MDL Number | MFCD00057880 |
SMILES | NC1=NC2=C(N=CN2COCCO)C(=O)N1 |
IUPAC Name | 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one |
InChI Key | MKUXAQIIEYXACX-UHFFFAOYSA-N |
Molecular Formula | C8H11N5O3 |
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 |
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 |
Famotidine, USP, 98.5-101%, Spectrum™ Chemical
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CAS: 76824-35-6 Molecular Formula: C8H15N7O2S3 Molecular Weight (g/mol): 337.44 InChI Key: XUFQPHANEAPEMJ-UHFFFAOYSA-N IUPAC Name: 3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide SMILES: NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1
CAS | 76824-35-6 |
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Molecular Weight (g/mol) | 337.44 |
SMILES | NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1 |
IUPAC Name | 3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide |
InChI Key | XUFQPHANEAPEMJ-UHFFFAOYSA-N |
Molecular Formula | C8H15N7O2S3 |
Ketoconazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 531.43 InChI Key: XMAYWYJOQHXEEK-ZEQKJWHPSA-N IUPAC Name: 1-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one SMILES: CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
CAS | 65277-42-1 |
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Molecular Weight (g/mol) | 531.43 |
SMILES | CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 |
IUPAC Name | 1-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one |
InChI Key | XMAYWYJOQHXEEK-ZEQKJWHPSA-N |
Molecular Formula | C26H28Cl2N4O4 |
Niacin, Powder, USP, 98-102%, Spectrum™ Chemical
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CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1
CAS | 59-67-6 |
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Molecular Weight (g/mol) | 123.11 |
MDL Number | MFCD00006391 |
SMILES | OC(=O)C1=CC=CN=C1 |
IUPAC Name | pyridine-3-carboxylic acid |
InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
Molecular Formula | C6H5NO2 |
Brompheniramine Maleate, USP, 98-102%, Spectrum™ Chemical
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CAS: 980-71-2 Molecular Formula: C20H23BrN2O4 Molecular Weight (g/mol): 435.32 MDL Number: MFCD00057367 InChI Key: SRGKFVAASLQVBO-BTJKTKAUNA-N IUPAC Name: (2Z)-but-2-enedioic acid; [3-(4-bromophenyl)-3-(pyridin-2-yl)propyl]dimethylamine SMILES: OC(=O)\C=C/C(O)=O.CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1
CAS | 980-71-2 |
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Molecular Weight (g/mol) | 435.32 |
MDL Number | MFCD00057367 |
SMILES | OC(=O)\C=C/C(O)=O.CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1 |
IUPAC Name | (2Z)-but-2-enedioic acid; [3-(4-bromophenyl)-3-(pyridin-2-yl)propyl]dimethylamine |
InChI Key | SRGKFVAASLQVBO-BTJKTKAUNA-N |
Molecular Formula | C20H23BrN2O4 |
Biotin, Powder, USP, 97.5-102%, Spectrum™ Chemical
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CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N IUPAC Name: 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
CAS | 58-85-5 |
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Molecular Weight (g/mol) | 244.31 |
MDL Number | MFCD00005541 |
SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
IUPAC Name | 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid |
InChI Key | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
Molecular Formula | C10H16N2O3S |
Diltiazem Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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CAS: 33286-22-5 Molecular Formula: C22H27ClN2O4S Molecular Weight (g/mol): 450.98 InChI Key: HDRXZJPWHTXQRI-BHDTVMLSSA-N IUPAC Name: hydrogen (2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate chloride SMILES: [H+].[Cl-].COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
CAS | 33286-22-5 |
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Molecular Weight (g/mol) | 450.98 |
SMILES | [H+].[Cl-].COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |
IUPAC Name | hydrogen (2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate chloride |
InChI Key | HDRXZJPWHTXQRI-BHDTVMLSSA-N |
Molecular Formula | C22H27ClN2O4S |
Theophylline, Anhydrous, USP, 97-102%, Spectrum™ Chemical
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CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N IUPAC Name: 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C2=C(NC=N2)C(=O)N(C)C1=O
CAS | 58-55-9 |
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Molecular Weight (g/mol) | 180.17 |
SMILES | CN1C2=C(NC=N2)C(=O)N(C)C1=O |
IUPAC Name | 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
Molecular Formula | C7H8N4O2 |
Ipratropium Bromide, USP, 98-102%, Spectrum™ Chemical
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CAS: 66985-17-9 Molecular Formula: C20H32BrNO4 Molecular Weight (g/mol): 430.38 InChI Key: KEWHKYJURDBRMN-XFQAGIBXSA-M IUPAC Name: (1R,5S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium hydrate bromide SMILES: O.[Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C1=CC=CC=C1
CAS | 66985-17-9 |
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Molecular Weight (g/mol) | 430.38 |
SMILES | O.[Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C1=CC=CC=C1 |
IUPAC Name | (1R,5S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium hydrate bromide |
InChI Key | KEWHKYJURDBRMN-XFQAGIBXSA-M |
Molecular Formula | C20H32BrNO4 |
Itraconazole, Micronized, USP, 98.5-101.5%, Spectrum™ Chemical
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CAS: 84625-61-6 Molecular Formula: C35H38Cl2N8O4 Molecular Weight (g/mol): 705.64 MDL Number: MFCD00870168,MFCD00941396 InChI Key: VHVPQPYKVGDNFY-ZPGVKDDISA-N IUPAC Name: 1-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one SMILES: CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
CAS | 84625-61-6 |
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Molecular Weight (g/mol) | 705.64 |
MDL Number | MFCD00870168,MFCD00941396 |
SMILES | CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 |
IUPAC Name | 1-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one |
InChI Key | VHVPQPYKVGDNFY-ZPGVKDDISA-N |
Molecular Formula | C35H38Cl2N8O4 |