Organoheterocyclic compounds
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Miconazole Impurity A, 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 6-chloronicotinate, 98%
CAS: 73781-91-6 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00023420 InChI Key: RMEDXVIWDFLGES-UHFFFAOYSA-N PubChem CID: 254249 IUPAC Name: methyl 6-chloropyridine-3-carboxylate SMILES: COC(=O)C1=CN=C(C=C1)Cl
| PubChem CID | 254249 |
|---|---|
| CAS | 73781-91-6 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00023420 |
| SMILES | COC(=O)C1=CN=C(C=C1)Cl |
| IUPAC Name | methyl 6-chloropyridine-3-carboxylate |
| InChI Key | RMEDXVIWDFLGES-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
2-Amino-5-nitropyridine, 97+%
CAS: 4214-76-0 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006325 InChI Key: UGSBCCAHDVCHGI-UHFFFAOYSA-N Synonym: 2-amino-5-nitropyridine,2-pyridinamine, 5-nitro,5-nitro-2-aminopyridine,5-nitro-2-pyridinamine,2-amino-5-nitro pyridine,pyridine, 2-amino-5-nitro,5-nitro-pyridin-2-ylamine,5-nitro-pyridin-2-yl amine,5-nitro-2-pyridylamine,5-nitropyridin-2-amin PubChem CID: 77888 IUPAC Name: 5-nitropyridin-2-amine SMILES: NC1=CC=C(C=N1)[N+]([O-])=O
| PubChem CID | 77888 |
|---|---|
| CAS | 4214-76-0 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00006325 |
| SMILES | NC1=CC=C(C=N1)[N+]([O-])=O |
| Synonym | 2-amino-5-nitropyridine,2-pyridinamine, 5-nitro,5-nitro-2-aminopyridine,5-nitro-2-pyridinamine,2-amino-5-nitro pyridine,pyridine, 2-amino-5-nitro,5-nitro-pyridin-2-ylamine,5-nitro-pyridin-2-yl amine,5-nitro-2-pyridylamine,5-nitropyridin-2-amin |
| IUPAC Name | 5-nitropyridin-2-amine |
| InChI Key | UGSBCCAHDVCHGI-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O2 |
1-Ethyl-3-methylimidazolium bromide, 98+%
CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;bromide SMILES: [Br-].CCN1C=C[N+](C)=C1
| PubChem CID | 2734235 |
|---|---|
| CAS | 65039-08-9 |
| Molecular Weight (g/mol) | 191.07 |
| MDL Number | MFCD03427610 |
| SMILES | [Br-].CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;bromide |
| InChI Key | GWQYPLXGJIXMMV-UHFFFAOYSA-M |
| Molecular Formula | C6H11BrN2 |
2-(Ethoxycarbonyl)benzeneboronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 269409-99-6 Molecular Formula: C15H21BO4 Molecular Weight (g/mol): 276.139 MDL Number: MFCD03453660 InChI Key: RFBZWPFBCXBBJS-UHFFFAOYSA-N Synonym: ethyl 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,2-ethoxycarbonylphenylboronic acid pinacol ester,ethyl-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,2-ethoxycarbonylphenylboronic acid, pinacol ester,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid ethyl ester,ethyl 2-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,2-carboethoxyphenylboronic acid pinacol ester,2-ethoxycarbonyl benzeneboronic acid pinacol ester,ethyl 2-4,4,5,5-tetramethyl 1,3,2 dioxaborolan-2-yl benzoate PubChem CID: 2773962 IUPAC Name: ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OCC
| PubChem CID | 2773962 |
|---|---|
| CAS | 269409-99-6 |
| Molecular Weight (g/mol) | 276.139 |
| MDL Number | MFCD03453660 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OCC |
| Synonym | ethyl 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,2-ethoxycarbonylphenylboronic acid pinacol ester,ethyl-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,2-ethoxycarbonylphenylboronic acid, pinacol ester,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid ethyl ester,ethyl 2-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,2-carboethoxyphenylboronic acid pinacol ester,2-ethoxycarbonyl benzeneboronic acid pinacol ester,ethyl 2-4,4,5,5-tetramethyl 1,3,2 dioxaborolan-2-yl benzoate |
| IUPAC Name | ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI Key | RFBZWPFBCXBBJS-UHFFFAOYSA-N |
| Molecular Formula | C15H21BO4 |
3,3-Dimethylglutaric anhydride, 97%
CAS: 4160-82-1 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00006684 InChI Key: HIJQFTSZBHDYKW-UHFFFAOYSA-N Synonym: 3,3-dimethylglutaric anhydride,2h-pyran-2,6 3h-dione, dihydro-4,4-dimethyl,4,4-dimethyldihydro-2h-pyran-2,6 3h-dione,glutaric anhydride, 3,3-dimethyl,3,3-dimethylglutaricanhydride,glutaric anhydride, beta,beta-dimethyl,acmc-1adve,dihydro-4,4-dimethyl-2h-pyran-2,6 3h-dione,3,3-dimethyladipic anhydride,3,3 dimethylglutaric anhydride PubChem CID: 77813 IUPAC Name: 4,4-dimethyloxane-2,6-dione SMILES: CC1(CC(=O)OC(=O)C1)C
| PubChem CID | 77813 |
|---|---|
| CAS | 4160-82-1 |
| Molecular Weight (g/mol) | 142.154 |
| MDL Number | MFCD00006684 |
| SMILES | CC1(CC(=O)OC(=O)C1)C |
| Synonym | 3,3-dimethylglutaric anhydride,2h-pyran-2,6 3h-dione, dihydro-4,4-dimethyl,4,4-dimethyldihydro-2h-pyran-2,6 3h-dione,glutaric anhydride, 3,3-dimethyl,3,3-dimethylglutaricanhydride,glutaric anhydride, beta,beta-dimethyl,acmc-1adve,dihydro-4,4-dimethyl-2h-pyran-2,6 3h-dione,3,3-dimethyladipic anhydride,3,3 dimethylglutaric anhydride |
| IUPAC Name | 4,4-dimethyloxane-2,6-dione |
| InChI Key | HIJQFTSZBHDYKW-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
Bathophenanthrolinedisulfonic acid disodium salt hydrate, 98%
CAS: 52746-49-3 Molecular Formula: C24H14N2Na2O6S2 Molecular Weight (g/mol): 536.48 MDL Number: MFCD00149310 InChI Key: PCNDSIWXTYFWIA-UHFFFAOYSA-L Synonym: 4,7-Diphenyl-1,10-phenanthrolinedisulfonic acid disodium salt hydrate PubChem CID: 54669730 SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)C1=CC=NC2=C1C=CC1=C2N=CC=C1C1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 54669730 |
|---|---|
| CAS | 52746-49-3 |
| Molecular Weight (g/mol) | 536.48 |
| MDL Number | MFCD00149310 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)C1=CC=NC2=C1C=CC1=C2N=CC=C1C1=CC=C(C=C1)S([O-])(=O)=O |
| Synonym | 4,7-Diphenyl-1,10-phenanthrolinedisulfonic acid disodium salt hydrate |
| InChI Key | PCNDSIWXTYFWIA-UHFFFAOYSA-L |
| Molecular Formula | C24H14N2Na2O6S2 |
Thieno[3,2-b]pyridin-7-ol, 96%
CAS: 107818-20-2 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD01863636 InChI Key: AACVULYSNJAKEQ-UHFFFAOYSA-N Synonym: thieno 3,2-b pyridin-7-ol,thieno 3,2-b pyridin-7 4h-one,7-hydroxythieno 3,2-b pyridine,4h-thieno 3,2-b pyridin-7-one,thiopheno 3,2-b pyridin-7-ol,thieno 3 2-b pyridin-7-ol,pubchem22356,acmc-2098xl,ksc173k8p PubChem CID: 5074765 IUPAC Name: 4H-thieno[3,2-b]pyridin-7-one SMILES: C1=CNC2=C(C1=O)SC=C2
| PubChem CID | 5074765 |
|---|---|
| CAS | 107818-20-2 |
| Molecular Weight (g/mol) | 151.183 |
| MDL Number | MFCD01863636 |
| SMILES | C1=CNC2=C(C1=O)SC=C2 |
| Synonym | thieno 3,2-b pyridin-7-ol,thieno 3,2-b pyridin-7 4h-one,7-hydroxythieno 3,2-b pyridine,4h-thieno 3,2-b pyridin-7-one,thiopheno 3,2-b pyridin-7-ol,thieno 3 2-b pyridin-7-ol,pubchem22356,acmc-2098xl,ksc173k8p |
| IUPAC Name | 4H-thieno[3,2-b]pyridin-7-one |
| InChI Key | AACVULYSNJAKEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NOS |
6-Methylquinoline, 98%
CAS: 91-62-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006804 InChI Key: LUYISICIYVKBTA-UHFFFAOYSA-N Synonym: quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 PubChem CID: 7059 IUPAC Name: 6-methylquinoline SMILES: CC1=CC=C2N=CC=CC2=C1
| PubChem CID | 7059 |
|---|---|
| CAS | 91-62-3 |
| Molecular Weight (g/mol) | 143.19 |
| MDL Number | MFCD00006804 |
| SMILES | CC1=CC=C2N=CC=CC2=C1 |
| Synonym | quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 |
| IUPAC Name | 6-methylquinoline |
| InChI Key | LUYISICIYVKBTA-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
1-Boc-3-pyrrolidinone, 97%
CAS: 101385-93-7 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD01631194 InChI Key: JSOMVCDXPUXKIC-UHFFFAOYSA-N Synonym: n-boc-3-pyrrolidinone,1-boc-3-pyrrolidinone,1-n-boc-3-pyrrolidinone,n-tert-butoxycarbonyl-3-pyrrolidinone,n-boc-pyrrolidine-3-one,boc-3-pyrrolidinone,1-boc-3-pyrrolidone,3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxopyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-pyrrolidone PubChem CID: 471360 IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(=O)C1
| PubChem CID | 471360 |
|---|---|
| CAS | 101385-93-7 |
| Molecular Weight (g/mol) | 185.223 |
| MDL Number | MFCD01631194 |
| SMILES | CC(C)(C)OC(=O)N1CCC(=O)C1 |
| Synonym | n-boc-3-pyrrolidinone,1-boc-3-pyrrolidinone,1-n-boc-3-pyrrolidinone,n-tert-butoxycarbonyl-3-pyrrolidinone,n-boc-pyrrolidine-3-one,boc-3-pyrrolidinone,1-boc-3-pyrrolidone,3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxopyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-pyrrolidone |
| IUPAC Name | tert-butyl 3-oxopyrrolidine-1-carboxylate |
| InChI Key | JSOMVCDXPUXKIC-UHFFFAOYSA-N |
| Molecular Formula | C9H15NO3 |
Hexamethyleneimine, 98+%
CAS: 111-49-9 Molecular Formula: C6H13N Molecular Weight (g/mol): 99.177 MDL Number: MFCD00006934 InChI Key: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Synonym: hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine PubChem CID: 8119 ChEBI: CHEBI:32616 IUPAC Name: azepane SMILES: C1CCCNCC1
| PubChem CID | 8119 |
|---|---|
| CAS | 111-49-9 |
| Molecular Weight (g/mol) | 99.177 |
| ChEBI | CHEBI:32616 |
| MDL Number | MFCD00006934 |
| SMILES | C1CCCNCC1 |
| Synonym | hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine |
| IUPAC Name | azepane |
| InChI Key | ZSIQJIWKELUFRJ-UHFFFAOYSA-N |
| Molecular Formula | C6H13N |
2-Chloropyridine N-oxide hydrochloride, 97%
CAS: 20295-64-1 Molecular Formula: C5H5Cl2NO Molecular Weight (g/mol): 166.001 MDL Number: MFCD00007913 InChI Key: GRZNODNSNCXOHE-UHFFFAOYSA-N Synonym: 2-chloropyridine n-oxide hydrochloride,2-chloropyridine-n-oxide hydrochloride,2-chloropyridine 1-oxide hydrochloride,chloride 2-chloropyridinium 1-oxide,2-chloropyridine n-oxide hcl,pyridine, 2-chloro-, 1-oxide, hydrochloride,2-chloropyridin-1-ium-1-olate hydrochloride,2-chlorpyridin-1-oxidhydrochlorid,acmc-1ccui,2-chloropyridine n-oxide.hcl PubChem CID: 88478 IUPAC Name: 2-chloro-1-oxidopyridin-1-ium;hydrochloride SMILES: C1=CC=[N+](C(=C1)Cl)[O-].Cl
| PubChem CID | 88478 |
|---|---|
| CAS | 20295-64-1 |
| Molecular Weight (g/mol) | 166.001 |
| MDL Number | MFCD00007913 |
| SMILES | C1=CC=[N+](C(=C1)Cl)[O-].Cl |
| Synonym | 2-chloropyridine n-oxide hydrochloride,2-chloropyridine-n-oxide hydrochloride,2-chloropyridine 1-oxide hydrochloride,chloride 2-chloropyridinium 1-oxide,2-chloropyridine n-oxide hcl,pyridine, 2-chloro-, 1-oxide, hydrochloride,2-chloropyridin-1-ium-1-olate hydrochloride,2-chlorpyridin-1-oxidhydrochlorid,acmc-1ccui,2-chloropyridine n-oxide.hcl |
| IUPAC Name | 2-chloro-1-oxidopyridin-1-ium;hydrochloride |
| InChI Key | GRZNODNSNCXOHE-UHFFFAOYSA-N |
| Molecular Formula | C5H5Cl2NO |
2-(Aminomethyl)pyridine, 98+%
CAS: 3731-51-9 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006360 InChI Key: WOXFMYVTSLAQMO-UHFFFAOYSA-N Synonym: 2-picolylamine,2-aminomethyl pyridine,2-pyridinemethanamine,2-aminomethylpyridine,2-pyridinemethylamine,2-pyridylmethylamine,2-picolinamine,2-pyridinemethaneamine,2-pyridylmethyl amine,pyridine, 2-aminomethyl PubChem CID: 19509 ChEBI: CHEBI:81387 SMILES: NCC1=CC=CC=N1
| PubChem CID | 19509 |
|---|---|
| CAS | 3731-51-9 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:81387 |
| MDL Number | MFCD00006360 |
| SMILES | NCC1=CC=CC=N1 |
| Synonym | 2-picolylamine,2-aminomethyl pyridine,2-pyridinemethanamine,2-aminomethylpyridine,2-pyridinemethylamine,2-pyridylmethylamine,2-picolinamine,2-pyridinemethaneamine,2-pyridylmethyl amine,pyridine, 2-aminomethyl |
| InChI Key | WOXFMYVTSLAQMO-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
3-Bromo-5-fluoropyridine, 97%
CAS: 407-20-5 Molecular Formula: C5H3BrFN Molecular Weight (g/mol): 175.99 MDL Number: MFCD04112555 InChI Key: HNNNBQRRIHKFLI-UHFFFAOYSA-N Synonym: 5-bromo-3-fluoropyridine,3-bromo-5-fluoro-pyridine,3-brom-5-fluorpyridin,3-bromo-5-fluoro pyridine,pyridine, 3-bromo-5-fluoro,3-bromo-5-fluorpyridine,5-bromo-3-fluoride pyridine,3-bromine-5-fluoride pyridine,pubchem3964,3-bromo-5-fluoropyridin PubChem CID: 820206 IUPAC Name: 3-bromo-5-fluoropyridine SMILES: FC1=CN=CC(Br)=C1
| PubChem CID | 820206 |
|---|---|
| CAS | 407-20-5 |
| Molecular Weight (g/mol) | 175.99 |
| MDL Number | MFCD04112555 |
| SMILES | FC1=CN=CC(Br)=C1 |
| Synonym | 5-bromo-3-fluoropyridine,3-bromo-5-fluoro-pyridine,3-brom-5-fluorpyridin,3-bromo-5-fluoro pyridine,pyridine, 3-bromo-5-fluoro,3-bromo-5-fluorpyridine,5-bromo-3-fluoride pyridine,3-bromine-5-fluoride pyridine,pubchem3964,3-bromo-5-fluoropyridin |
| IUPAC Name | 3-bromo-5-fluoropyridine |
| InChI Key | HNNNBQRRIHKFLI-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrFN |
Sparfloxacin, 98%
CAS: 110871-86-8 Molecular Formula: C19H22F2N4O3 Molecular Weight (g/mol): 392.41 MDL Number: MFCD00869619 InChI Key: DZZWHBIBMUVIIW-DTORHVGOSA-N Synonym: sparfloxacin,zagam,esparfloxacino,sparfloxacine,sparfloxacinum,spara,sparfloxacine inn-french,sparfloxacinum inn-latin,spfx,esparfloxacino inn-spanish PubChem CID: 60464 ChEBI: CHEBI:9212 IUPAC Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid SMILES: C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O
| PubChem CID | 60464 |
|---|---|
| CAS | 110871-86-8 |
| Molecular Weight (g/mol) | 392.41 |
| ChEBI | CHEBI:9212 |
| MDL Number | MFCD00869619 |
| SMILES | C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O |
| Synonym | sparfloxacin,zagam,esparfloxacino,sparfloxacine,sparfloxacinum,spara,sparfloxacine inn-french,sparfloxacinum inn-latin,spfx,esparfloxacino inn-spanish |
| IUPAC Name | 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| InChI Key | DZZWHBIBMUVIIW-DTORHVGOSA-N |
| Molecular Formula | C19H22F2N4O3 |