Organoheterocyclic compounds
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Methyl nicotinate, 99%
CAS: 93-60-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00006388 InChI Key: YNBADRVTZLEFNH-UHFFFAOYSA-N Synonym: methyl nicotinate,nikomet,methylnicotinate,nicotinic acid methyl ester,nicometh,methyl 3-pyridinecarboxylate,methyl-nicotinate,3-pyridinecarboxylic acid, methyl ester,heat spray,nicotinic acid, methyl ester PubChem CID: 7151 IUPAC Name: methyl pyridine-3-carboxylate SMILES: COC(=O)C1=CN=CC=C1
| PubChem CID | 7151 |
|---|---|
| CAS | 93-60-7 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00006388 |
| SMILES | COC(=O)C1=CN=CC=C1 |
| Synonym | methyl nicotinate,nikomet,methylnicotinate,nicotinic acid methyl ester,nicometh,methyl 3-pyridinecarboxylate,methyl-nicotinate,3-pyridinecarboxylic acid, methyl ester,heat spray,nicotinic acid, methyl ester |
| IUPAC Name | methyl pyridine-3-carboxylate |
| InChI Key | YNBADRVTZLEFNH-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Thermo Scientific Chemicals Indomethacin
CAS: 53-86-1 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 InChI Key: CGIGDMFJXJATDK-UHFFFAOYSA-N Synonym: indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon PubChem CID: 3715 ChEBI: CHEBI:49662 IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
| PubChem CID | 3715 |
|---|---|
| CAS | 53-86-1 |
| Molecular Weight (g/mol) | 357.79 |
| ChEBI | CHEBI:49662 |
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O |
| Synonym | indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon |
| IUPAC Name | 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid |
| InChI Key | CGIGDMFJXJATDK-UHFFFAOYSA-N |
| Molecular Formula | C19H16ClNO4 |
N-Phenylmaleimide, 98+%
CAS: 941-69-5 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.171 MDL Number: MFCD00005502 InChI Key: HIDBROSJWZYGSZ-UHFFFAOYSA-N Synonym: n-phenylmaleimide,maleanil,maleinanil,maleimidobenzene,1h-pyrrole-2,5-dione, 1-phenyl,1-phenyl-1h-pyrrole-2,5-dione,maleimide, n-phenyl,1-phenyl-2,5-dihydro-1h-pyrrole-2,5-dione,unii-9u9kt462vw,n-fenylimid kyseliny maleinove PubChem CID: 13662 IUPAC Name: 1-phenylpyrrole-2,5-dione SMILES: C1=CC=C(C=C1)N2C(=O)C=CC2=O
| PubChem CID | 13662 |
|---|---|
| CAS | 941-69-5 |
| Molecular Weight (g/mol) | 173.171 |
| MDL Number | MFCD00005502 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C=CC2=O |
| Synonym | n-phenylmaleimide,maleanil,maleinanil,maleimidobenzene,1h-pyrrole-2,5-dione, 1-phenyl,1-phenyl-1h-pyrrole-2,5-dione,maleimide, n-phenyl,1-phenyl-2,5-dihydro-1h-pyrrole-2,5-dione,unii-9u9kt462vw,n-fenylimid kyseliny maleinove |
| IUPAC Name | 1-phenylpyrrole-2,5-dione |
| InChI Key | HIDBROSJWZYGSZ-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2 |
| Boiling Point | 77°C |
|---|---|
| Molecular Weight (g/mol) | 70.05 |
| ChEBI | CHEBI:33193 |
| Color | Cream to Orange |
| Physical Form | Crystalline Powder |
| Chemical Name or Material | Tetrazole |
| SMILES | C1=NNN=N1 |
| InChI Key | KJUGUADJHNHALS-UHFFFAOYSA-N |
| Density | 0.8000g/mL |
| PubChem CID | 67519 |
| CAS | 75-05-8 |
| Health Hazard 3 | GHS P Statement IF ON SKIN: Wash with plenty of soap and water. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Wea |
| Health Hazard 2 | GHS H Statement Highly flammable liquid and vapour. Causes serious eye irritation. Harmful if swallowed. Harmful if inhaled. Harmful in contact with skin. |
| Packaging | AcroSeal™ Glass Bottle |
| Flash Point | 5°C |
| Health Hazard 1 | GHS Signal Word: Danger |
| IUPAC Name | 2H-tetrazole |
| Molecular Formula | CH2N4 |
| EINECS Number | 206-023-4 |
| Formula Weight | 70.05 |
| Specific Gravity | 0.8 |
Carbazole, 96%
CAS: 86-74-8 Molecular Formula: C12H9N Molecular Weight (g/mol): 167.21 MDL Number: MFCD00004960 InChI Key: UJOBWOGCFQCDNV-UHFFFAOYSA-N Synonym: carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn PubChem CID: 6854 ChEBI: CHEBI:27543 IUPAC Name: 9H-carbazole SMILES: N1C2=C(C=CC=C2)C2=C1C=CC=C2
| PubChem CID | 6854 |
|---|---|
| CAS | 86-74-8 |
| Molecular Weight (g/mol) | 167.21 |
| ChEBI | CHEBI:27543 |
| MDL Number | MFCD00004960 |
| SMILES | N1C2=C(C=CC=C2)C2=C1C=CC=C2 |
| Synonym | carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn |
| IUPAC Name | 9H-carbazole |
| InChI Key | UJOBWOGCFQCDNV-UHFFFAOYSA-N |
| Molecular Formula | C12H9N |
(+)-Camptothecin, 98%
CAS: 3-4-7689 Molecular Formula: C20H16N2O4 Molecular Weight (g/mol): 348.35 MDL Number: MFCD00081076 InChI Key: VSJKWCGYPAHWDS-FQEVSTJZSA-N Synonym: camptothecin,camptothecine,s-+-camptothecin,campathecin,+-camptothecine,d-camptothecin,20 s-camptothecine,+-camptothecin,21,22-secocamptothecin-21-oic acid lactone,s-camptothecin PubChem CID: 24360 ChEBI: CHEBI:27656 SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
| PubChem CID | 24360 |
|---|---|
| CAS | 3-4-7689 |
| Molecular Weight (g/mol) | 348.35 |
| ChEBI | CHEBI:27656 |
| MDL Number | MFCD00081076 |
| SMILES | CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O |
| Synonym | camptothecin,camptothecine,s-+-camptothecin,campathecin,+-camptothecine,d-camptothecin,20 s-camptothecine,+-camptothecin,21,22-secocamptothecin-21-oic acid lactone,s-camptothecin |
| InChI Key | VSJKWCGYPAHWDS-FQEVSTJZSA-N |
| Molecular Formula | C20H16N2O4 |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide, 98%
CAS: 54016-70-5 Molecular Formula: C8H14BrNOS Molecular Weight (g/mol): 252.17 MDL Number: MFCD00040549 InChI Key: BDQRQMLWZJQQKS-UHFFFAOYSA-M Synonym: 3-ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazoliumbromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazol-3-ium bromide,thiazolium, 3-ethyl-5-2-hydroxyethyl-4-methyl-, bromide,2-3-ethyl-4-methyl-thiazol-3-ium-5-yl ethanol bromide,3-ethyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium bromide,pubchem15236,acmc-1area,ksc272q3h,3ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide PubChem CID: 9964923 IUPAC Name: 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide SMILES: CC[N+]1=CSC(=C1C)CCO.[Br-]
| PubChem CID | 9964923 |
|---|---|
| CAS | 54016-70-5 |
| Molecular Weight (g/mol) | 252.17 |
| MDL Number | MFCD00040549 |
| SMILES | CC[N+]1=CSC(=C1C)CCO.[Br-] |
| Synonym | 3-ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazoliumbromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazol-3-ium bromide,thiazolium, 3-ethyl-5-2-hydroxyethyl-4-methyl-, bromide,2-3-ethyl-4-methyl-thiazol-3-ium-5-yl ethanol bromide,3-ethyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium bromide,pubchem15236,acmc-1area,ksc272q3h,3ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide |
| IUPAC Name | 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide |
| InChI Key | BDQRQMLWZJQQKS-UHFFFAOYSA-M |
| Molecular Formula | C8H14BrNOS |
Guanine, 99+%
CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 IUPAC Name: 2-amino-3,7-dihydropurin-6-one SMILES: NC1=NC(=O)C2=C(N1)N=CN2
| PubChem CID | 764 |
|---|---|
| CAS | 73-40-5 |
| Molecular Weight (g/mol) | 151.13 |
| ChEBI | CHEBI:16235 |
| MDL Number | MFCD00071533 |
| SMILES | NC1=NC(=O)C2=C(N1)N=CN2 |
| Synonym | guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence |
| IUPAC Name | 2-amino-3,7-dihydropurin-6-one |
| InChI Key | UYTPUPDQBNUYGX-UHFFFAOYSA-N |
| Molecular Formula | C5H5N5O |
Serotonin creatinine sulfate monohydrate, 99%
CAS: 61-47-2 Molecular Formula: H2SO4·H2O Molecular Weight (g/mol): 405.42 MDL Number: MFCD00149653 InChI Key: BKCXVJIGPVULPX-UHFFFAOYSA-N Synonym: serotonin creatinine sulfate monohydrate,serotonin creatinin-sulfat-1-wasser,unii-6l522laq9u,serotonin creatine sulfate monohydrate,creatinina serotonin sulfuric acid hydrate,1-benzo b thien-3-yl-3-1-pyrrolidinyl-1-propanone hydrochloride,1-propanone, 1-benzo b thien-3-yl-3-1-pyrrolidinyl-, hydrochloride,sulfuric acid compound with 2-imino-1-methylimidazolidin-4-one and 3-2-aminoethyl-1h-indol-5-ol 1:1:1 hydrate,ccris 8960,serotonincreatininesulfatemonohydrate PubChem CID: 164531 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate SMILES: CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O
| PubChem CID | 164531 |
|---|---|
| CAS | 61-47-2 |
| Molecular Weight (g/mol) | 405.42 |
| MDL Number | MFCD00149653 |
| SMILES | CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O |
| Synonym | serotonin creatinine sulfate monohydrate,serotonin creatinin-sulfat-1-wasser,unii-6l522laq9u,serotonin creatine sulfate monohydrate,creatinina serotonin sulfuric acid hydrate,1-benzo b thien-3-yl-3-1-pyrrolidinyl-1-propanone hydrochloride,1-propanone, 1-benzo b thien-3-yl-3-1-pyrrolidinyl-, hydrochloride,sulfuric acid compound with 2-imino-1-methylimidazolidin-4-one and 3-2-aminoethyl-1h-indol-5-ol 1:1:1 hydrate,ccris 8960,serotonincreatininesulfatemonohydrate |
| IUPAC Name | 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate |
| InChI Key | BKCXVJIGPVULPX-UHFFFAOYSA-N |
| Molecular Formula | H2SO4·H2O |
Candesartan, 98%
CAS: 139481-59-7 Molecular Formula: C24H20N6O3 Molecular Weight (g/mol): 440.463 MDL Number: MFCD00081076 InChI Key: HTQMVQVXFRQIKW-UHFFFAOYSA-N Synonym: candesartan,blopress,ratacand,1-2'-1h-tetrazol-5-yl-1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzo d imidazole-7-carboxylic acid,candesartan ban,3h candesartan,unii-s8q36md2xx,2-ethoxy-3-4-2-2h-tetrazol-5-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid,candesartan usan/inn,candesartan usan:inn PubChem CID: 2541 ChEBI: CHEBI:3347 IUPAC Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
| PubChem CID | 2541 |
|---|---|
| CAS | 139481-59-7 |
| Molecular Weight (g/mol) | 440.463 |
| ChEBI | CHEBI:3347 |
| MDL Number | MFCD00081076 |
| SMILES | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O |
| Synonym | candesartan,blopress,ratacand,1-2'-1h-tetrazol-5-yl-1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzo d imidazole-7-carboxylic acid,candesartan ban,3h candesartan,unii-s8q36md2xx,2-ethoxy-3-4-2-2h-tetrazol-5-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid,candesartan usan/inn,candesartan usan:inn |
| IUPAC Name | 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid |
| InChI Key | HTQMVQVXFRQIKW-UHFFFAOYSA-N |
| Molecular Formula | C24H20N6O3 |
Amiloride hydrochloride dihydrate
CAS: 17440-83-4 Molecular Formula: C6H13Cl2N7O3 Molecular Weight (g/mol): 302.116 MDL Number: MFCD00058197 InChI Key: LTKVFMLMEYCWMK-UHFFFAOYSA-N Synonym: amiloride hydrochloride dihydrate,modamide,nirulid,amiloride hcl,amiloride hcl dihydrate,amilorid hydrochlorid-2-wasser,unii-fzj37245uc,amiloride hydrochloride usan:usp,amiloride dihydrate hydrochloride,n-amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride dihydrate PubChem CID: 68540 ChEBI: CHEBI:2640 IUPAC Name: 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;dihydrate;hydrochloride SMILES: C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.O.Cl
| PubChem CID | 68540 |
|---|---|
| CAS | 17440-83-4 |
| Molecular Weight (g/mol) | 302.116 |
| ChEBI | CHEBI:2640 |
| MDL Number | MFCD00058197 |
| SMILES | C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.O.Cl |
| Synonym | amiloride hydrochloride dihydrate,modamide,nirulid,amiloride hcl,amiloride hcl dihydrate,amilorid hydrochlorid-2-wasser,unii-fzj37245uc,amiloride hydrochloride usan:usp,amiloride dihydrate hydrochloride,n-amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride dihydrate |
| IUPAC Name | 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;dihydrate;hydrochloride |
| InChI Key | LTKVFMLMEYCWMK-UHFFFAOYSA-N |
| Molecular Formula | C6H13Cl2N7O3 |
Epichlorohydrin 99.0+%, TCI America™
CAS: 106-89-8 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.522 MDL Number: MFCD00005132 InChI Key: BRLQWZUYTZBJKN-UHFFFAOYSA-N Synonym: epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide PubChem CID: 7835 ChEBI: CHEBI:37144 IUPAC Name: 2-(chloromethyl)oxirane SMILES: C1C(O1)CCl
| PubChem CID | 7835 |
|---|---|
| CAS | 106-89-8 |
| Molecular Weight (g/mol) | 92.522 |
| ChEBI | CHEBI:37144 |
| MDL Number | MFCD00005132 |
| SMILES | C1C(O1)CCl |
| Synonym | epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide |
| IUPAC Name | 2-(chloromethyl)oxirane |
| InChI Key | BRLQWZUYTZBJKN-UHFFFAOYSA-N |
| Molecular Formula | C3H5ClO |
Maleic anhydride, briquettes
CAS: 108-31-6 Molecular Formula: C4H2O3 Molecular Weight (g/mol): 98.06 MDL Number: MFCD00005518 InChI Key: FPYJFEHAWHCUMM-UHFFFAOYSA-N IUPAC Name: 2,5-dihydrofuran-2,5-dione SMILES: O=C1OC(=O)C=C1
| CAS | 108-31-6 |
|---|---|
| Molecular Weight (g/mol) | 98.06 |
| MDL Number | MFCD00005518 |
| SMILES | O=C1OC(=O)C=C1 |
| IUPAC Name | 2,5-dihydrofuran-2,5-dione |
| InChI Key | FPYJFEHAWHCUMM-UHFFFAOYSA-N |
| Molecular Formula | C4H2O3 |
5-Azacytosine, 98% (dry wt.), may cont. up to ca 7% water
CAS: 931-86-2 Molecular Formula: C3H4N4O Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006033,MFCD00149402,MFCD00051007 InChI Key: MFEFTTYGMZOIKO-UHFFFAOYSA-N Synonym: 5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one PubChem CID: 19956 ChEBI: CHEBI:72474 SMILES: NC1=NC=NC(=O)N1
| PubChem CID | 19956 |
|---|---|
| CAS | 931-86-2 |
| Molecular Weight (g/mol) | 112.09 |
| ChEBI | CHEBI:72474 |
| MDL Number | MFCD00006033,MFCD00149402,MFCD00051007 |
| SMILES | NC1=NC=NC(=O)N1 |
| Synonym | 5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one |
| InChI Key | MFEFTTYGMZOIKO-UHFFFAOYSA-N |
| Molecular Formula | C3H4N4O |
3,4-Diaminopyridine, 97%
CAS: 54-96-6 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006401 InChI Key: OYTKINVCDFNREN-UHFFFAOYSA-N Synonym: 3,4-diaminopyridine,amifampridine,3,4-pyridinediamine,firdapse,diamino-3,4 pyridine,4,5-diaminopyridine,3,4-dap,amifampridin,zenas,pyridine, 3,4-diamino PubChem CID: 5918 IUPAC Name: pyridine-3,4-diamine SMILES: C1=CN=CC(=C1N)N
| PubChem CID | 5918 |
|---|---|
| CAS | 54-96-6 |
| Molecular Weight (g/mol) | 109.132 |
| MDL Number | MFCD00006401 |
| SMILES | C1=CN=CC(=C1N)N |
| Synonym | 3,4-diaminopyridine,amifampridine,3,4-pyridinediamine,firdapse,diamino-3,4 pyridine,4,5-diaminopyridine,3,4-dap,amifampridin,zenas,pyridine, 3,4-diamino |
| IUPAC Name | pyridine-3,4-diamine |
| InChI Key | OYTKINVCDFNREN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |