Organoheterocyclic compounds
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2-Nitrobenzeneboronic acid pinacol ester, 98+%
CAS: 190788-59-1 Molecular Formula: C12H16BNO4 Molecular Weight (g/mol): 249.07 MDL Number: MFCD02179447 InChI Key: VLJYUDGCEKORNG-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-2-nitrophenyl-1,3,2-dioxaborolane,2-nitrobenzeneboronic acid pinacol ester,2-nitrophenyl boronic acid pinacol ester,2-nitrophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-nitrophenyl,2-2-nitrophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl nitrobenzene,amtb916,2-nitrophenyl boronic acid, pinacol ester,2-nitrophenylboronic acid, pinacol ester PubChem CID: 3699568 IUPAC Name: 4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 3699568 |
|---|---|
| CAS | 190788-59-1 |
| Molecular Weight (g/mol) | 249.07 |
| MDL Number | MFCD02179447 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC=C1[N+]([O-])=O |
| Synonym | 4,4,5,5-tetramethyl-2-2-nitrophenyl-1,3,2-dioxaborolane,2-nitrobenzeneboronic acid pinacol ester,2-nitrophenyl boronic acid pinacol ester,2-nitrophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-nitrophenyl,2-2-nitrophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl nitrobenzene,amtb916,2-nitrophenyl boronic acid, pinacol ester,2-nitrophenylboronic acid, pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane |
| InChI Key | VLJYUDGCEKORNG-UHFFFAOYSA-N |
| Molecular Formula | C12H16BNO4 |
Thiamine Hydrochloride, FCC, 98-102%, Spectrum™ Chemical
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CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.26 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M IUPAC Name: hydrogen 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride SMILES: [H+].[Cl-].[Cl-].CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N
| CAS | 67-03-8 |
|---|---|
| Molecular Weight (g/mol) | 337.26 |
| SMILES | [H+].[Cl-].[Cl-].CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N |
| IUPAC Name | hydrogen 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride |
| InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Molecular Formula | C12H18Cl2N4OS |
Thiamine Mononitrate, FCC, 98-102%, Spectrum™ Chemical
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CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.36 MDL Number: MFCD00036330 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-3H-1λ4,3-thiazol-1-ylium nitrate SMILES: [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N
| CAS | 532-43-4 |
|---|---|
| Molecular Weight (g/mol) | 327.36 |
| MDL Number | MFCD00036330 |
| SMILES | [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N |
| IUPAC Name | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-3H-1λ4,3-thiazol-1-ylium nitrate |
| InChI Key | UIERGBJEBXXIGO-UHFFFAOYSA-N |
| Molecular Formula | C12H17N5O4S |
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 |
|---|---|
| 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 |
Thiamine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.26 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M IUPAC Name: hydrogen 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride SMILES: [H+].[Cl-].[Cl-].CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N
| CAS | 67-03-8 |
|---|---|
| Molecular Weight (g/mol) | 337.26 |
| SMILES | [H+].[Cl-].[Cl-].CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N |
| IUPAC Name | hydrogen 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride |
| InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Molecular Formula | C12H18Cl2N4OS |
Creatinine, 98%, Spectrum™ Chemical
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CAS: 60-27-5
| CAS | 60-27-5 |
|---|
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 |
|---|---|
| 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 |
1-(3-Iodobenzyl)piperidine, ≥97%, Thermo Scientific™
CAS: 859850-87-6 Molecular Formula: C12H16IN Molecular Weight (g/mol): 301.171 MDL Number: MFCD06797854 InChI Key: DCRZUICHKJGHQK-UHFFFAOYSA-N Synonym: 1-3-iodobenzyl piperidine,1-3-iodophenyl methyl piperidine,piperidine,1-3-iodophenyl methyl,1-3-iodo-benzyl-piperidine PubChem CID: 17750314 IUPAC Name: 1-[(3-iodophenyl)methyl]piperidine SMILES: C1CCN(CC1)CC2=CC(=CC=C2)I
| PubChem CID | 17750314 |
|---|---|
| CAS | 859850-87-6 |
| Molecular Weight (g/mol) | 301.171 |
| MDL Number | MFCD06797854 |
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)I |
| Synonym | 1-3-iodobenzyl piperidine,1-3-iodophenyl methyl piperidine,piperidine,1-3-iodophenyl methyl,1-3-iodo-benzyl-piperidine |
| IUPAC Name | 1-[(3-iodophenyl)methyl]piperidine |
| InChI Key | DCRZUICHKJGHQK-UHFFFAOYSA-N |
| Molecular Formula | C12H16IN |
Methyl 3-(piperidin-1-ylmethyl)benzoate, 97%, Thermo Scientific™
CAS: 73278-90-7 Molecular Formula: C14H19NO2 Molecular Weight (g/mol): 233.311 MDL Number: MFCD07772859 InChI Key: RJOMIJDQGNNOCO-UHFFFAOYSA-N Synonym: methyl 3-piperidin-1-ylmethyl benzoate,methyl 3-piperidylmethyl benzoate,methyl 3-piperidin-1-yl methyl benzoate,3-1-piperidinylmethyl benzoic acid, methyl ester,benzoic acid,3-1-piperidinylmethyl-, methyl ester,2-piperidin-1-yl methyl benzoic acid methyl ester PubChem CID: 7162043 IUPAC Name: methyl 3-(piperidin-1-ylmethyl)benzoate SMILES: COC(=O)C1=CC(=CC=C1)CN2CCCCC2
| PubChem CID | 7162043 |
|---|---|
| CAS | 73278-90-7 |
| Molecular Weight (g/mol) | 233.311 |
| MDL Number | MFCD07772859 |
| SMILES | COC(=O)C1=CC(=CC=C1)CN2CCCCC2 |
| Synonym | methyl 3-piperidin-1-ylmethyl benzoate,methyl 3-piperidylmethyl benzoate,methyl 3-piperidin-1-yl methyl benzoate,3-1-piperidinylmethyl benzoic acid, methyl ester,benzoic acid,3-1-piperidinylmethyl-, methyl ester,2-piperidin-1-yl methyl benzoic acid methyl ester |
| IUPAC Name | methyl 3-(piperidin-1-ylmethyl)benzoate |
| InChI Key | RJOMIJDQGNNOCO-UHFFFAOYSA-N |
| Molecular Formula | C14H19NO2 |
3-(1-methyl-1H-pyrazol-3-yl)aniline, 97+%, Thermo Scientific™
CAS: 175202-37-6 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 InChI Key: ZRXOZSROZJGRRH-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-3-yl aniline,3-1-methylpyrazol-3-yl aniline,3-1-methyl-1h-pyrazol-3-yl-phenylamine,benzenamine, 3-1-methyl-1h-pyrazol-3-yl,3-1-methylpyrazol-3-yl phenylamine,3-1-methyl-1h-pyrazol-3-yl phenylamine,3-3-aminophenyl-1-methyl-1h-pyrazole PubChem CID: 2735396 IUPAC Name: 3-(1-methylpyrazol-3-yl)aniline SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)N
| PubChem CID | 2735396 |
|---|---|
| CAS | 175202-37-6 |
| Molecular Weight (g/mol) | 173.219 |
| SMILES | CN1C=CC(=N1)C2=CC(=CC=C2)N |
| Synonym | 3-1-methyl-1h-pyrazol-3-yl aniline,3-1-methylpyrazol-3-yl aniline,3-1-methyl-1h-pyrazol-3-yl-phenylamine,benzenamine, 3-1-methyl-1h-pyrazol-3-yl,3-1-methylpyrazol-3-yl phenylamine,3-1-methyl-1h-pyrazol-3-yl phenylamine,3-3-aminophenyl-1-methyl-1h-pyrazole |
| IUPAC Name | 3-(1-methylpyrazol-3-yl)aniline |
| InChI Key | ZRXOZSROZJGRRH-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3 |
Clomipramine Impurity F, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
Methyl 5-bromopyridine-2-carboxylate, 98+%, Thermo Scientific Chemicals
CAS: 29682-15-3 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD04112493 InChI Key: JEURNBCYNWNADN-UHFFFAOYSA-N Synonym: methyl 5-bromopicolinate,5-bromopyridine-2-carboxylic acid methyl ester,methyl 5-bromo-2-pyridinecarboxylate,2-pyridinecarboxylic acid, 5-bromo-, methyl ester,5-bromo-2-pyridinecarboxylic acid methyl ester,5-bromo-pyridine-2-carboxylic acid methyl ester,methyl5-bromopicolinate,pubchem10589,5-bromopyridine-2-carboxylicacidmethylester,acmc-1cjr7 PubChem CID: 7016458 IUPAC Name: methyl 5-bromopyridine-2-carboxylate SMILES: COC(=O)C1=NC=C(C=C1)Br
| PubChem CID | 7016458 |
|---|---|
| CAS | 29682-15-3 |
| Molecular Weight (g/mol) | 216.034 |
| MDL Number | MFCD04112493 |
| SMILES | COC(=O)C1=NC=C(C=C1)Br |
| Synonym | methyl 5-bromopicolinate,5-bromopyridine-2-carboxylic acid methyl ester,methyl 5-bromo-2-pyridinecarboxylate,2-pyridinecarboxylic acid, 5-bromo-, methyl ester,5-bromo-2-pyridinecarboxylic acid methyl ester,5-bromo-pyridine-2-carboxylic acid methyl ester,methyl5-bromopicolinate,pubchem10589,5-bromopyridine-2-carboxylicacidmethylester,acmc-1cjr7 |
| IUPAC Name | methyl 5-bromopyridine-2-carboxylate |
| InChI Key | JEURNBCYNWNADN-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
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 |
|---|---|
| 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 |
4-(1H-Pyrazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™
CAS: 160388-53-4 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD07186451 InChI Key: ZHQQRHUITAFMTC-UHFFFAOYSA-N PubChem CID: 6484268 IUPAC Name: 4-(pyrazol-1-ylmethyl)benzoic acid SMILES: C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)O
| PubChem CID | 6484268 |
|---|---|
| CAS | 160388-53-4 |
| Molecular Weight (g/mol) | 202.213 |
| MDL Number | MFCD07186451 |
| SMILES | C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)O |
| IUPAC Name | 4-(pyrazol-1-ylmethyl)benzoic acid |
| InChI Key | ZHQQRHUITAFMTC-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O2 |
Methyl 2-phenylpyrimidine-5-carboxylate, 97%, Thermo Scientific™
CAS: 64074-29-9 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.224 MDL Number: MFCD06797254 InChI Key: SOMJCOFUAUMQPG-UHFFFAOYSA-N Synonym: 2-phenylpyrimidine-5-carboxylic acid methyl ester,methyl2-phenylpyrimidine-5-carboxylate,2-phenyl-pyrimidine-5-carboxylic acid methyl ester,5-pyrimidinecarboxylicacid,2-phenyl-,methyl ester,5-pyrimidinecarboxylicacid, 2-phenyl-, methyl ester,5-pyrimidinecarboxylic acid, 2-phenyl-, methyl ester PubChem CID: 11206661 IUPAC Name: methyl 2-phenylpyrimidine-5-carboxylate SMILES: COC(=O)C1=CN=C(N=C1)C2=CC=CC=C2
| PubChem CID | 11206661 |
|---|---|
| CAS | 64074-29-9 |
| Molecular Weight (g/mol) | 214.224 |
| MDL Number | MFCD06797254 |
| SMILES | COC(=O)C1=CN=C(N=C1)C2=CC=CC=C2 |
| Synonym | 2-phenylpyrimidine-5-carboxylic acid methyl ester,methyl2-phenylpyrimidine-5-carboxylate,2-phenyl-pyrimidine-5-carboxylic acid methyl ester,5-pyrimidinecarboxylicacid,2-phenyl-,methyl ester,5-pyrimidinecarboxylicacid, 2-phenyl-, methyl ester,5-pyrimidinecarboxylic acid, 2-phenyl-, methyl ester |
| IUPAC Name | methyl 2-phenylpyrimidine-5-carboxylate |
| InChI Key | SOMJCOFUAUMQPG-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O2 |