Organoheterocyclic compounds
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Phenylthiohydantoin-aspartic Acid 95.0+%, TCI America™
CAS: 5624-13-5 Molecular Formula: C11H10N2O3S Molecular Weight (g/mol): 250.272 MDL Number: MFCD01076622 InChI Key: NFUCNAREVSTFNC-UHFFFAOYSA-N Synonym: 3-Phenyl-2-thiohydantoin-5-acetic Acid, PTH-aspartic Acid PubChem CID: 2871997 IUPAC Name: 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetic acid SMILES: C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)O
| PubChem CID | 2871997 |
|---|---|
| CAS | 5624-13-5 |
| Molecular Weight (g/mol) | 250.272 |
| MDL Number | MFCD01076622 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)O |
| Synonym | 3-Phenyl-2-thiohydantoin-5-acetic Acid, PTH-aspartic Acid |
| IUPAC Name | 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetic acid |
| InChI Key | NFUCNAREVSTFNC-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O3S |
3-Phenylpyrazole 98.0+%, TCI America™
CAS: 2458-26-6 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00159654 InChI Key: OEDUIFSDODUDRK-UHFFFAOYSA-N Synonym: 3-phenyl-1h-pyrazole,3-phenylpyrazole,1h-pyrazole, 3-phenyl,pyrazole, 3-phenyl,3-benzylpyrazole,3-phenylpyrazol,phenylpyrazole,3-phenyl-2h-pyrazole,chembl38876,5-phenylpyrazole PubChem CID: 17155 IUPAC Name: 5-phenyl-1H-pyrazole SMILES: N1N=CC=C1C1=CC=CC=C1
| PubChem CID | 17155 |
|---|---|
| CAS | 2458-26-6 |
| Molecular Weight (g/mol) | 144.18 |
| MDL Number | MFCD00159654 |
| SMILES | N1N=CC=C1C1=CC=CC=C1 |
| Synonym | 3-phenyl-1h-pyrazole,3-phenylpyrazole,1h-pyrazole, 3-phenyl,pyrazole, 3-phenyl,3-benzylpyrazole,3-phenylpyrazol,phenylpyrazole,3-phenyl-2h-pyrazole,chembl38876,5-phenylpyrazole |
| IUPAC Name | 5-phenyl-1H-pyrazole |
| InChI Key | OEDUIFSDODUDRK-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
2,4-Piperidinedione 98.0+%, TCI America™
CAS: 50607-30-2 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD08704814 InChI Key: RDNZDMDLRIQQAX-UHFFFAOYSA-N Synonym: 2,4-piperidinedione,2,4-piperadinedione,2,4-dioxopiperidine,2,4-diketopiperidine,piperidin-2,4-dione,2,4 dioxopiperdine,2, 4-dioxopiperidine,pubchem22543,acmc-209ko8 PubChem CID: 10887863 IUPAC Name: piperidine-2,4-dione SMILES: C1CNC(=O)CC1=O
| PubChem CID | 10887863 |
|---|---|
| CAS | 50607-30-2 |
| Molecular Weight (g/mol) | 113.116 |
| MDL Number | MFCD08704814 |
| SMILES | C1CNC(=O)CC1=O |
| Synonym | 2,4-piperidinedione,2,4-piperadinedione,2,4-dioxopiperidine,2,4-diketopiperidine,piperidin-2,4-dione,2,4 dioxopiperdine,2, 4-dioxopiperidine,pubchem22543,acmc-209ko8 |
| IUPAC Name | piperidine-2,4-dione |
| InChI Key | RDNZDMDLRIQQAX-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
3-(1-Piperazinyl)-1,2-benzisothiazole 98.0+%, TCI America™
CAS: 87691-87-0 Molecular Formula: C11H13N3S Molecular Weight (g/mol): 219.306 MDL Number: MFCD04117970 InChI Key: KRDOFMHJLWKXIU-UHFFFAOYSA-N PubChem CID: 2772144 IUPAC Name: 3-piperazin-1-yl-1,2-benzothiazole SMILES: C1CN(CCN1)C2=NSC3=CC=CC=C32
| PubChem CID | 2772144 |
|---|---|
| CAS | 87691-87-0 |
| Molecular Weight (g/mol) | 219.306 |
| MDL Number | MFCD04117970 |
| SMILES | C1CN(CCN1)C2=NSC3=CC=CC=C32 |
| IUPAC Name | 3-piperazin-1-yl-1,2-benzothiazole |
| InChI Key | KRDOFMHJLWKXIU-UHFFFAOYSA-N |
| Molecular Formula | C11H13N3S |
Pyrimethamine 98.0+%, TCI America™
CAS: 58-14-0 Molecular Formula: C12H13ClN4 Molecular Weight (g/mol): 248.71 MDL Number: MFCD00057350 InChI Key: WKSAUQYGYAYLPV-UHFFFAOYSA-N Synonym: pyrimethamine,chloridine,daraprim,chloridin,diaminopyritamin,5-4-chlorophenyl-6-ethylpyrimidine-2,4-diamine,ethylpyrimidine,pirimetamina,chloridyn,malocide PubChem CID: 4993 ChEBI: CHEBI:8673 IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine SMILES: CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1
| PubChem CID | 4993 |
|---|---|
| CAS | 58-14-0 |
| Molecular Weight (g/mol) | 248.71 |
| ChEBI | CHEBI:8673 |
| MDL Number | MFCD00057350 |
| SMILES | CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 |
| Synonym | pyrimethamine,chloridine,daraprim,chloridin,diaminopyritamin,5-4-chlorophenyl-6-ethylpyrimidine-2,4-diamine,ethylpyrimidine,pirimetamina,chloridyn,malocide |
| IUPAC Name | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
| InChI Key | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
| Molecular Formula | C12H13ClN4 |
2-Chloro-3-nitropyridine 99.0+%, TCI America™
CAS: 5470-18-8 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.541 MDL Number: MFCD00006232 InChI Key: UUOLETYDNTVQDY-UHFFFAOYSA-N Synonym: pyridine, 2-chloro-3-nitro,3-nitro-2-chloropyridine,2-chloro-3-nitro-pyridine,2-chloro-3-nitro pyridine,2-chlor-3-nitropyridin,zlchem 303,pubchem1229,2-chloro-nitropyridine,2-chloro-3nitropyridine,2-chloro3-nitropyridine PubChem CID: 79613 IUPAC Name: 2-chloro-3-nitropyridine SMILES: C1=CC(=C(N=C1)Cl)[N+](=O)[O-]
| PubChem CID | 79613 |
|---|---|
| CAS | 5470-18-8 |
| Molecular Weight (g/mol) | 158.541 |
| MDL Number | MFCD00006232 |
| SMILES | C1=CC(=C(N=C1)Cl)[N+](=O)[O-] |
| Synonym | pyridine, 2-chloro-3-nitro,3-nitro-2-chloropyridine,2-chloro-3-nitro-pyridine,2-chloro-3-nitro pyridine,2-chlor-3-nitropyridin,zlchem 303,pubchem1229,2-chloro-nitropyridine,2-chloro-3nitropyridine,2-chloro3-nitropyridine |
| IUPAC Name | 2-chloro-3-nitropyridine |
| InChI Key | UUOLETYDNTVQDY-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN2O2 |
Prulifloxacin 98.0+%, TCI America™
CAS: 123447-62-1 Molecular Formula: C21H20FN3O6S Molecular Weight (g/mol): 461.46 MDL Number: MFCD00864847 InChI Key: PWNMXPDKBYZCOO-UHFFFAOYNA-N PubChem CID: 65947 IUPAC Name: 6-fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl]piperazin-1-yl}-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid SMILES: CC1SC2=C(C(O)=O)C(=O)C3=CC(F)=C(C=C3N12)N1CCN(CC2=C(C)OC(=O)O2)CC1
| PubChem CID | 65947 |
|---|---|
| CAS | 123447-62-1 |
| Molecular Weight (g/mol) | 461.46 |
| MDL Number | MFCD00864847 |
| SMILES | CC1SC2=C(C(O)=O)C(=O)C3=CC(F)=C(C=C3N12)N1CCN(CC2=C(C)OC(=O)O2)CC1 |
| IUPAC Name | 6-fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl]piperazin-1-yl}-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid |
| InChI Key | PWNMXPDKBYZCOO-UHFFFAOYNA-N |
| Molecular Formula | C21H20FN3O6S |
Palonosetron Hydrochloride 98.0+%, TCI America™
CAS: 135729-62-3 Molecular Formula: C19H25ClN2O Molecular Weight (g/mol): 332.87 MDL Number: MFCD00939524 InChI Key: OLDRWYVIKMSFFB-KPVRICSOSA-N PubChem CID: 6918303 ChEBI: CHEBI:85157 IUPAC Name: hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride SMILES: [H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2
| PubChem CID | 6918303 |
|---|---|
| CAS | 135729-62-3 |
| Molecular Weight (g/mol) | 332.87 |
| ChEBI | CHEBI:85157 |
| MDL Number | MFCD00939524 |
| SMILES | [H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2 |
| IUPAC Name | hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride |
| InChI Key | OLDRWYVIKMSFFB-KPVRICSOSA-N |
| Molecular Formula | C19H25ClN2O |
Cinchonidine Dihydrochloride 98.0+%, TCI America™
CAS: 24302-67-8 Molecular Formula: C19H24Cl2N2O Molecular Weight (g/mol): 367.314 MDL Number: MFCD00082451 InChI Key: ZDBQDNUZNQOCTH-LCXDJMELSA-N PubChem CID: 92045680 IUPAC Name: (S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;dihydrochloride SMILES: C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.Cl.Cl
| PubChem CID | 92045680 |
|---|---|
| CAS | 24302-67-8 |
| Molecular Weight (g/mol) | 367.314 |
| MDL Number | MFCD00082451 |
| SMILES | C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.Cl.Cl |
| IUPAC Name | (S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;dihydrochloride |
| InChI Key | ZDBQDNUZNQOCTH-LCXDJMELSA-N |
| Molecular Formula | C19H24Cl2N2O |
Polyethylene Glycol Glycidyl Lauryl Ether, TCI America™
CAS: 86630-59-3 Molecular Formula: C17H34O3 Molecular Weight (g/mol): 286.456 InChI Key: ZCCBLVOOWREKMV-UHFFFAOYSA-N PubChem CID: 22986560 IUPAC Name: 2-(2-dodecoxyethoxymethyl)oxirane SMILES: CCCCCCCCCCCCOCCOCC1CO1
| PubChem CID | 22986560 |
|---|---|
| CAS | 86630-59-3 |
| Molecular Weight (g/mol) | 286.456 |
| SMILES | CCCCCCCCCCCCOCCOCC1CO1 |
| IUPAC Name | 2-(2-dodecoxyethoxymethyl)oxirane |
| InChI Key | ZCCBLVOOWREKMV-UHFFFAOYSA-N |
| Molecular Formula | C17H34O3 |
(R)-4-Phenylthiazolidine-2-thione 98.0+%, TCI America™
CAS: 110199-18-3 Molecular Formula: C9H9NS2 Molecular Weight (g/mol): 195.298 MDL Number: MFCD06658215 InChI Key: IEXSISKCCADMLK-QMMMGPOBSA-N PubChem CID: 11521249 IUPAC Name: (4R)-4-phenyl-1,3-thiazolidine-2-thione SMILES: C1C(NC(=S)S1)C2=CC=CC=C2
| PubChem CID | 11521249 |
|---|---|
| CAS | 110199-18-3 |
| Molecular Weight (g/mol) | 195.298 |
| MDL Number | MFCD06658215 |
| SMILES | C1C(NC(=S)S1)C2=CC=CC=C2 |
| IUPAC Name | (4R)-4-phenyl-1,3-thiazolidine-2-thione |
| InChI Key | IEXSISKCCADMLK-QMMMGPOBSA-N |
| Molecular Formula | C9H9NS2 |
4-Phenylimidazole 98.0+%, TCI America™
CAS: 670-95-1 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.177 MDL Number: MFCD00005197 InChI Key: XHLKOHSAWQPOFO-UHFFFAOYSA-N Synonym: 4-phenylimidazole,4-phenyl-1h-imidazole,1h-imidazole, 4-phenyl,4 5-phenylimidazole,imidazole, 4-phenyl,4-phenyl imidazole,chembl14145,pim,4-phenyl-1h-imidazol,5-phenylimidazole PubChem CID: 69590 IUPAC Name: 5-phenyl-1H-imidazole SMILES: C1=CC=C(C=C1)C2=CN=CN2
| PubChem CID | 69590 |
|---|---|
| CAS | 670-95-1 |
| Molecular Weight (g/mol) | 144.177 |
| MDL Number | MFCD00005197 |
| SMILES | C1=CC=C(C=C1)C2=CN=CN2 |
| Synonym | 4-phenylimidazole,4-phenyl-1h-imidazole,1h-imidazole, 4-phenyl,4 5-phenylimidazole,imidazole, 4-phenyl,4-phenyl imidazole,chembl14145,pim,4-phenyl-1h-imidazol,5-phenylimidazole |
| IUPAC Name | 5-phenyl-1H-imidazole |
| InChI Key | XHLKOHSAWQPOFO-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
4-(1-Pyrrolidinyl)piperidine 98.0+%, TCI America™
CAS: 5004-07-9 Molecular Formula: C9H18N2 Molecular Weight (g/mol): 154.26 MDL Number: MFCD00038011 InChI Key: STWODXDTKGTVCJ-UHFFFAOYSA-N Synonym: 4-1-pyrrolidinyl piperidine,4-pyrrolidin-1-yl piperidine,4-pyrrolidin-1-yl-piperidine,4-pyrrolidinopiperidine,4-1-pyrrolidinyl-piperidine,piperidine, 4-1-pyrrolidinyl,4-pyrrolidinylpiperidine,4-pyrrolizinopiperidine,4-pyrrolidino-piperidine PubChem CID: 78703 IUPAC Name: 4-pyrrolidin-1-ylpiperidine SMILES: C1CCN(C1)C2CCNCC2
| PubChem CID | 78703 |
|---|---|
| CAS | 5004-07-9 |
| Molecular Weight (g/mol) | 154.26 |
| MDL Number | MFCD00038011 |
| SMILES | C1CCN(C1)C2CCNCC2 |
| Synonym | 4-1-pyrrolidinyl piperidine,4-pyrrolidin-1-yl piperidine,4-pyrrolidin-1-yl-piperidine,4-pyrrolidinopiperidine,4-1-pyrrolidinyl-piperidine,piperidine, 4-1-pyrrolidinyl,4-pyrrolidinylpiperidine,4-pyrrolizinopiperidine,4-pyrrolidino-piperidine |
| IUPAC Name | 4-pyrrolidin-1-ylpiperidine |
| InChI Key | STWODXDTKGTVCJ-UHFFFAOYSA-N |
| Molecular Formula | C9H18N2 |
Pentoxifylline 98.0+%, TCI America™
CAS: 5-6-6493 Molecular Formula: C13H18N4O3 Molecular Weight (g/mol): 278.31 MDL Number: MFCD00063379 InChI Key: BYPFEZZEUUWMEJ-UHFFFAOYSA-N Synonym: pentoxifylline,trental,oxpentifylline,pentoxifyllin,torental,pentoxyphylline,pentoxil,dimethyloxohexylxanthine,pentoxiphyllium,vazofirin PubChem CID: 4740 ChEBI: CHEBI:7986 IUPAC Name: 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione SMILES: CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
| PubChem CID | 4740 |
|---|---|
| CAS | 5-6-6493 |
| Molecular Weight (g/mol) | 278.31 |
| ChEBI | CHEBI:7986 |
| MDL Number | MFCD00063379 |
| SMILES | CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
| Synonym | pentoxifylline,trental,oxpentifylline,pentoxifyllin,torental,pentoxyphylline,pentoxil,dimethyloxohexylxanthine,pentoxiphyllium,vazofirin |
| IUPAC Name | 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione |
| InChI Key | BYPFEZZEUUWMEJ-UHFFFAOYSA-N |
| Molecular Formula | C13H18N4O3 |
Paclobutrazol 98.0+%, TCI America™
CAS: 76738-62-0 Molecular Formula: C15H20ClN3O Molecular Weight (g/mol): 293.795 MDL Number: MFCD01678673 InChI Key: RMOGWMIKYWRTKW-LSLKUGRBSA-N Synonym: paclobutrazol,2s-1-4-chlorophenyl-4,4-dimethyl-2-1,2,4-triazol-1-yl-3-pentanol,2s-1-4-chlorophenyl-4,4-dimethyl-2-1,2,4-triazol-1-yl pentan-3-ol PubChem CID: 53297383 IUPAC Name: (2S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol SMILES: CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
| PubChem CID | 53297383 |
|---|---|
| CAS | 76738-62-0 |
| Molecular Weight (g/mol) | 293.795 |
| MDL Number | MFCD01678673 |
| SMILES | CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O |
| Synonym | paclobutrazol,2s-1-4-chlorophenyl-4,4-dimethyl-2-1,2,4-triazol-1-yl-3-pentanol,2s-1-4-chlorophenyl-4,4-dimethyl-2-1,2,4-triazol-1-yl pentan-3-ol |
| IUPAC Name | (2S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol |
| InChI Key | RMOGWMIKYWRTKW-LSLKUGRBSA-N |
| Molecular Formula | C15H20ClN3O |