Organoheterocyclic compounds
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3-(1H-Imidazol-1-yl)propanoic acid, ≥97%, Thermo Scientific™
CAS: 18999-45-6 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD02731119 InChI Key: VSFNAZLYGOOSEY-UHFFFAOYSA-N Synonym: 3-1h-imidazol-1-yl propanoic acid,3-imidazol-1-yl-propionic acid,1h-imidazole-1-propanoic acid,3-1-imidazolyl propanoic acid,chembl20724,3-imidazolylpropanoic acid,3-imidazol-1-yl-propionicacid,3-1-imidazolyl propionic acid,3 1h-imidazol-1-yl propanoic acid PubChem CID: 2794718 IUPAC Name: 3-imidazol-1-ylpropanoic acid SMILES: C1=CN(C=N1)CCC(=O)O
| PubChem CID | 2794718 |
|---|---|
| CAS | 18999-45-6 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD02731119 |
| SMILES | C1=CN(C=N1)CCC(=O)O |
| Synonym | 3-1h-imidazol-1-yl propanoic acid,3-imidazol-1-yl-propionic acid,1h-imidazole-1-propanoic acid,3-1-imidazolyl propanoic acid,chembl20724,3-imidazolylpropanoic acid,3-imidazol-1-yl-propionicacid,3-1-imidazolyl propionic acid,3 1h-imidazol-1-yl propanoic acid |
| IUPAC Name | 3-imidazol-1-ylpropanoic acid |
| InChI Key | VSFNAZLYGOOSEY-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
1-Azepanyl(4-piperidinyl)methanone, ≥97%, Thermo Scientific™
CAS: 86542-89-4 Molecular Formula: C12H22N2O Molecular Weight (g/mol): 210.321 MDL Number: MFCD03372514 InChI Key: BWKOHTHENZSVRL-UHFFFAOYSA-N Synonym: 1-piperidin-4-ylcarbonyl azepane,1-azepanyl 4-piperidinyl methanone,azepan-1-yl-piperidin-4-yl-methanone,azepan-1-yl piperidin-4-yl methanone,1-piperidine-4-carbonyl azepane,methanone, hexahydro-1h-azepin-1-yl-4-piperidinyl,azaperhydroepinyl 4-piperidyl ketone,1-4-piperidylcarbonyl azepane,1-piperid-4-ylcarbonyl azepane PubChem CID: 2794691 IUPAC Name: azepan-1-yl(piperidin-4-yl)methanone SMILES: C1CCCN(CC1)C(=O)C2CCNCC2
| PubChem CID | 2794691 |
|---|---|
| CAS | 86542-89-4 |
| Molecular Weight (g/mol) | 210.321 |
| MDL Number | MFCD03372514 |
| SMILES | C1CCCN(CC1)C(=O)C2CCNCC2 |
| Synonym | 1-piperidin-4-ylcarbonyl azepane,1-azepanyl 4-piperidinyl methanone,azepan-1-yl-piperidin-4-yl-methanone,azepan-1-yl piperidin-4-yl methanone,1-piperidine-4-carbonyl azepane,methanone, hexahydro-1h-azepin-1-yl-4-piperidinyl,azaperhydroepinyl 4-piperidyl ketone,1-4-piperidylcarbonyl azepane,1-piperid-4-ylcarbonyl azepane |
| IUPAC Name | azepan-1-yl(piperidin-4-yl)methanone |
| InChI Key | BWKOHTHENZSVRL-UHFFFAOYSA-N |
| Molecular Formula | C12H22N2O |
8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine, 97%, Thermo Scientific™
CAS: 131728-94-4 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD00052603 InChI Key: FMONGDHUPLQOCP-UHFFFAOYSA-N Synonym: 8-chloromethyl-6-fluoro-4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-4h-benzo d 1,3 dioxine,4h-1,3-benzodioxin,8-chloromethyl-6-fluoro,8-chloromethyl-6-fluoro-2,4-dihydro-1,3-benzodioxine,8-chloromethyl-6-fluorobenzo-1,3-dioxane,acmc-1c5x1,8-chloromethyl-6-fluoro-4h-benzo 1,3 dioxine,8-chloromethyl-6-fluoro-2h,4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-2h,4h-benzo e 1,3-dioxin PubChem CID: 2780137 IUPAC Name: 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine SMILES: FC1=CC(CCl)=C2OCOCC2=C1
| PubChem CID | 2780137 |
|---|---|
| CAS | 131728-94-4 |
| Molecular Weight (g/mol) | 202.61 |
| MDL Number | MFCD00052603 |
| SMILES | FC1=CC(CCl)=C2OCOCC2=C1 |
| Synonym | 8-chloromethyl-6-fluoro-4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-4h-benzo d 1,3 dioxine,4h-1,3-benzodioxin,8-chloromethyl-6-fluoro,8-chloromethyl-6-fluoro-2,4-dihydro-1,3-benzodioxine,8-chloromethyl-6-fluorobenzo-1,3-dioxane,acmc-1c5x1,8-chloromethyl-6-fluoro-4h-benzo 1,3 dioxine,8-chloromethyl-6-fluoro-2h,4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-2h,4h-benzo e 1,3-dioxin |
| IUPAC Name | 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine |
| InChI Key | FMONGDHUPLQOCP-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClFO2 |
2-piperidinoaniline, 97%, Thermo Scientific™
CAS: 39643-31-7 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00047467 InChI Key: OYECAJPUPWFCSL-UHFFFAOYSA-N Synonym: 2-piperidinoaniline,2-piperidin-1-yl aniline,2-piperidin-1-yl-phenylamine,benzenamine, 2-1-piperidinyl,n-2-aminophenyl piperidine,2-1-piperidinyl aniline,2-1-piperidino aniline,1-2-aminophenyl piperidine,2-piperidylphenylamine,2-piperdinoaniline PubChem CID: 458795 IUPAC Name: 2-piperidin-1-ylaniline SMILES: NC1=CC=CC=C1N1CCCCC1
| PubChem CID | 458795 |
|---|---|
| CAS | 39643-31-7 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00047467 |
| SMILES | NC1=CC=CC=C1N1CCCCC1 |
| Synonym | 2-piperidinoaniline,2-piperidin-1-yl aniline,2-piperidin-1-yl-phenylamine,benzenamine, 2-1-piperidinyl,n-2-aminophenyl piperidine,2-1-piperidinyl aniline,2-1-piperidino aniline,1-2-aminophenyl piperidine,2-piperidylphenylamine,2-piperdinoaniline |
| IUPAC Name | 2-piperidin-1-ylaniline |
| InChI Key | OYECAJPUPWFCSL-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
Sorbitan Monostearate, FCC, 27-34%, Spectrum™ Chemical
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CAS: 1338-41-6 Molecular Formula: C24H46O6 Molecular Weight (g/mol): 430.63 MDL Number: MFCD00005366,MFCD00005366 InChI Key: HVUMOYIDDBPOLL-IIZJTUPISA-N IUPAC Name: 2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@@H](O)[C@@H]1O
| CAS | 1338-41-6 |
|---|---|
| Molecular Weight (g/mol) | 430.63 |
| MDL Number | MFCD00005366,MFCD00005366 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@@H](O)[C@@H]1O |
| IUPAC Name | 2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadecanoate |
| InChI Key | HVUMOYIDDBPOLL-IIZJTUPISA-N |
| Molecular Formula | C24H46O6 |
N-Bromosuccinimide, 98%, Spectrum™ Chemical
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CAS: 128-08-5 Molecular Formula: C4H4BrNO2 Molecular Weight (g/mol): 177.99 InChI Key: PCLIMKBDDGJMGD-UHFFFAOYSA-N IUPAC Name: 1-bromopyrrolidine-2,5-dione SMILES: BrN1C(=O)CCC1=O
| CAS | 128-08-5 |
|---|---|
| Molecular Weight (g/mol) | 177.99 |
| SMILES | BrN1C(=O)CCC1=O |
| IUPAC Name | 1-bromopyrrolidine-2,5-dione |
| InChI Key | PCLIMKBDDGJMGD-UHFFFAOYSA-N |
| Molecular Formula | C4H4BrNO2 |
1-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 10314-98-4 Molecular Formula: C14H17NO4 Molecular Weight (g/mol): 263.293 MDL Number: MFCD01568759 InChI Key: URTPNQRAHXRPMP-UHFFFAOYSA-N Synonym: 1-benzyloxy carbonyl piperidine-4-carboxylic acid,n-cbz-4-piperidinecarboxylic acid,1-cbz-4-piperidinecarboxylic acid,n-cbz-piperidine-4-carboxylic acid,1-benzyloxycarbonyl piperidine-4-carboxylic acid,1-cbz-piperidine-4-carboxylic acid,1-benzyloxy carbonyl-4-piperidinecarboxylic acid,n-cbz-isonipecotic acid,piperidine-1,4-dicarboxylic acid monobenzyl ester PubChem CID: 736489 IUPAC Name: 1-phenylmethoxycarbonylpiperidine-4-carboxylic acid SMILES: C1CN(CCC1C(=O)O)C(=O)OCC2=CC=CC=C2
| PubChem CID | 736489 |
|---|---|
| CAS | 10314-98-4 |
| Molecular Weight (g/mol) | 263.293 |
| MDL Number | MFCD01568759 |
| SMILES | C1CN(CCC1C(=O)O)C(=O)OCC2=CC=CC=C2 |
| Synonym | 1-benzyloxy carbonyl piperidine-4-carboxylic acid,n-cbz-4-piperidinecarboxylic acid,1-cbz-4-piperidinecarboxylic acid,n-cbz-piperidine-4-carboxylic acid,1-benzyloxycarbonyl piperidine-4-carboxylic acid,1-cbz-piperidine-4-carboxylic acid,1-benzyloxy carbonyl-4-piperidinecarboxylic acid,n-cbz-isonipecotic acid,piperidine-1,4-dicarboxylic acid monobenzyl ester |
| IUPAC Name | 1-phenylmethoxycarbonylpiperidine-4-carboxylic acid |
| InChI Key | URTPNQRAHXRPMP-UHFFFAOYSA-N |
| Molecular Formula | C14H17NO4 |
4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole, 97%, Thermo Scientific™
CAS: 17969-22-1 Molecular Formula: C10H7Cl2NS Molecular Weight (g/mol): 244.133 MDL Number: MFCD00047057 InChI Key: UEJQTBKTWJQBRN-UHFFFAOYSA-N Synonym: 4-chloromethyl-2-4-chlorophenyl-1,3-thiazole,thiazole, 4-chloromethyl-2-4-chlorophenyl,4-chloromethyl-2-4-chlorophenyl thiazole,thiazole,4-chloromethyl-2-4-chlorophenyl,4-chloromethyl-2-4-chloro-phenyl-thiazole,thiazole, 4-chloromethyl-2-p-chlorophenyl,4-chloromethyl-2-p-chlorophenylthiazole,4-chloromethyl-2-4-chlorphenyl thiazole,2-p-chlorophenyl-4-chloromethylthiazole PubChem CID: 610297 IUPAC Name: 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole SMILES: C1=CC(=CC=C1C2=NC(=CS2)CCl)Cl
| PubChem CID | 610297 |
|---|---|
| CAS | 17969-22-1 |
| Molecular Weight (g/mol) | 244.133 |
| MDL Number | MFCD00047057 |
| SMILES | C1=CC(=CC=C1C2=NC(=CS2)CCl)Cl |
| Synonym | 4-chloromethyl-2-4-chlorophenyl-1,3-thiazole,thiazole, 4-chloromethyl-2-4-chlorophenyl,4-chloromethyl-2-4-chlorophenyl thiazole,thiazole,4-chloromethyl-2-4-chlorophenyl,4-chloromethyl-2-4-chloro-phenyl-thiazole,thiazole, 4-chloromethyl-2-p-chlorophenyl,4-chloromethyl-2-p-chlorophenylthiazole,4-chloromethyl-2-4-chlorphenyl thiazole,2-p-chlorophenyl-4-chloromethylthiazole |
| IUPAC Name | 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole |
| InChI Key | UEJQTBKTWJQBRN-UHFFFAOYSA-N |
| Molecular Formula | C10H7Cl2NS |
Povidone K-30, Spectrum™ Chemical
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CAS: 9003-39-8
| CAS | 9003-39-8 |
|---|
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 |
|---|---|
| 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 |
Imidazole, MP Biomedicals™
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
| PubChem CID | 795 |
|---|---|
| CAS | 288-32-4 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:16069 |
| MDL Number | MFCD00005183 |
| SMILES | N1C=CN=C1 |
| Synonym | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
| IUPAC Name | 1H-imidazole |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
Ethyl 2-morpholino-1,3-thiazole-4-carboxylate, 97%, Thermo Scientific™
CAS: 126533-95-7 Molecular Formula: C10H14N2O3S Molecular Weight (g/mol): 242.293 MDL Number: MFCD09702412 InChI Key: OINWWRRVBHJAKO-UHFFFAOYSA-N Synonym: ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate,ethyl 2-4-morpholinyl thiazole-4-carboxylate,ethyl 2-morpholino-1,3-thiazole-4-carboxylate,ethyl 2-morpholinothiazole-4-carboxylate,4-thiazolecarboxylicacid, 2-4-morpholinyl-, ethyl ester,acmc-1c0vg,4-4-ethoxycarbonyl-1,3-thiazol-2-yl morpholine,4-thiazolecarboxylicacid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-yl-thiazole-4-carboxylic acid ethyl ester PubChem CID: 15053544 IUPAC Name: ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate SMILES: CCOC(=O)C1=CSC(=N1)N2CCOCC2
| PubChem CID | 15053544 |
|---|---|
| CAS | 126533-95-7 |
| Molecular Weight (g/mol) | 242.293 |
| MDL Number | MFCD09702412 |
| SMILES | CCOC(=O)C1=CSC(=N1)N2CCOCC2 |
| Synonym | ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate,ethyl 2-4-morpholinyl thiazole-4-carboxylate,ethyl 2-morpholino-1,3-thiazole-4-carboxylate,ethyl 2-morpholinothiazole-4-carboxylate,4-thiazolecarboxylicacid, 2-4-morpholinyl-, ethyl ester,acmc-1c0vg,4-4-ethoxycarbonyl-1,3-thiazol-2-yl morpholine,4-thiazolecarboxylicacid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-yl-thiazole-4-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate |
| InChI Key | OINWWRRVBHJAKO-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2O3S |
2,4-Diphenyl-1,3-thiazole-5-carbaldehyde, ≥95%, Thermo Scientific™
CAS: 864068-85-9 Molecular Formula: C16H11NOS Molecular Weight (g/mol): 265.33 MDL Number: MFCD08060521 InChI Key: QCAWTHNKWALNJR-UHFFFAOYSA-N Synonym: 2,4-diphenylthiazole-5-carbaldehyde,5-thiazolecarboxaldehyde,2,4-diphenyl PubChem CID: 7537553 IUPAC Name: 2,4-diphenyl-1,3-thiazole-5-carbaldehyde SMILES: O=CC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7537553 |
|---|---|
| CAS | 864068-85-9 |
| Molecular Weight (g/mol) | 265.33 |
| MDL Number | MFCD08060521 |
| SMILES | O=CC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,4-diphenylthiazole-5-carbaldehyde,5-thiazolecarboxaldehyde,2,4-diphenyl |
| IUPAC Name | 2,4-diphenyl-1,3-thiazole-5-carbaldehyde |
| InChI Key | QCAWTHNKWALNJR-UHFFFAOYSA-N |
| Molecular Formula | C16H11NOS |
Risperidone, 100.7%, MP Biomedicals™
CAS: 106266-06-2 Molecular Formula: C23H27FN4O2 Molecular Weight (g/mol): 410.493 InChI Key: RAPZEAPATHNIPO-UHFFFAOYSA-N Synonym: risperidone,risperidal,risperdal,risperdal consta,rispolept,risperin,rispolin,sequinan,risperidona,risperidonum PubChem CID: 5073 ChEBI: CHEBI:8871 IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
| PubChem CID | 5073 |
|---|---|
| CAS | 106266-06-2 |
| Molecular Weight (g/mol) | 410.493 |
| ChEBI | CHEBI:8871 |
| SMILES | CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F |
| Synonym | risperidone,risperidal,risperdal,risperdal consta,rispolept,risperin,rispolin,sequinan,risperidona,risperidonum |
| IUPAC Name | 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
| InChI Key | RAPZEAPATHNIPO-UHFFFAOYSA-N |
| Molecular Formula | C23H27FN4O2 |
Cefsulodin Sodium Salt MP Biomedicals
CAS: 52152-93-9 Molecular Formula: C22H21N4NaO8S2+ Molecular Weight (g/mol): 556.54 InChI Key: GTZPOHRNWUTXNB-DWBVFMGKSA-O PubChem CID: 124203950 IUPAC Name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sodium SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N.[Na]
| PubChem CID | 124203950 |
|---|---|
| CAS | 52152-93-9 |
| Molecular Weight (g/mol) | 556.54 |
| SMILES | C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N.[Na] |
| IUPAC Name | (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sodium |
| InChI Key | GTZPOHRNWUTXNB-DWBVFMGKSA-O |
| Molecular Formula | C22H21N4NaO8S2+ |