Organoheterocyclic compounds
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6-Mercaptopurine monohydrate, 98%
CAS: 6112-76-1 Molecular Formula: C5H6N4OS Molecular Weight (g/mol): 170.19 MDL Number: MFCD03854445,MFCD01461928 InChI Key: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC Name: 3,7-dihydropurine-6-thione;hydrate SMILES: O.S=C1N=CNC2=C1NC=N2
| PubChem CID | 2724350 |
|---|---|
| CAS | 6112-76-1 |
| Molecular Weight (g/mol) | 170.19 |
| ChEBI | CHEBI:31822 |
| MDL Number | MFCD03854445,MFCD01461928 |
| SMILES | O.S=C1N=CNC2=C1NC=N2 |
| Synonym | 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 |
| IUPAC Name | 3,7-dihydropurine-6-thione;hydrate |
| InChI Key | WFFQYWAAEWLHJC-UHFFFAOYSA-N |
| Molecular Formula | C5H6N4OS |
3-Methyl-2-quinoxalinol, 98%, Thermo Scientific™
CAS: 14003-34-0 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00006724 InChI Key: BMIMNRPAEPIYDN-UHFFFAOYSA-N Synonym: 3-methylquinoxalin-2-ol,3-methyl-2-quinoxalinol,2-hydroxy-3-methylquinoxaline,3-methylquinoxalin-2 1h-one,2-quinoxalinol, 3-methyl,usaf el-7,2 1h-quinoxalinone, 3-methyl,3-methyl-2 1h-quinoxalinone,3-hydroxy-2-methylquinoxaline,2-hydroxy-3-methyl quinoxaline PubChem CID: 26384 IUPAC Name: 3-methyl-1H-quinoxalin-2-one SMILES: CC1=NC2=CC=CC=C2NC1=O
| PubChem CID | 26384 |
|---|---|
| CAS | 14003-34-0 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD00006724 |
| SMILES | CC1=NC2=CC=CC=C2NC1=O |
| Synonym | 3-methylquinoxalin-2-ol,3-methyl-2-quinoxalinol,2-hydroxy-3-methylquinoxaline,3-methylquinoxalin-2 1h-one,2-quinoxalinol, 3-methyl,usaf el-7,2 1h-quinoxalinone, 3-methyl,3-methyl-2 1h-quinoxalinone,3-hydroxy-2-methylquinoxaline,2-hydroxy-3-methyl quinoxaline |
| IUPAC Name | 3-methyl-1H-quinoxalin-2-one |
| InChI Key | BMIMNRPAEPIYDN-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
4,6-Dihydroxy-1H-pyrazolo[3,4-d]pyrimidine, 98+%
CAS: 2465-59-0 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.113 MDL Number: MFCD00056934 InChI Key: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonym: oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van PubChem CID: 4644 ChEBI: CHEBI:28315 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione SMILES: C1=C2C(=NC(=O)NC2=O)NN1
| PubChem CID | 4644 |
|---|---|
| CAS | 2465-59-0 |
| Molecular Weight (g/mol) | 152.113 |
| ChEBI | CHEBI:28315 |
| MDL Number | MFCD00056934 |
| SMILES | C1=C2C(=NC(=O)NC2=O)NN1 |
| Synonym | oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van |
| IUPAC Name | 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione |
| InChI Key | HXNFUBHNUDHIGC-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |
Thermo Scientific Chemicals Adenine hydrochloride, 98+%, cont. up to ca 5% water
CAS: 2922-28-3 Molecular Formula: C5H6ClN5 Molecular Weight (g/mol): 171.59 MDL Number: MFCD00038990 InChI Key: UQVDQSWZQXDUJB-UHFFFAOYSA-N Synonym: adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1 PubChem CID: 76219 IUPAC Name: 7H-purin-6-amine;hydrochloride SMILES: Cl.NC1=C2NC=NC2=NC=N1
| PubChem CID | 76219 |
|---|---|
| CAS | 2922-28-3 |
| Molecular Weight (g/mol) | 171.59 |
| MDL Number | MFCD00038990 |
| SMILES | Cl.NC1=C2NC=NC2=NC=N1 |
| Synonym | adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1 |
| IUPAC Name | 7H-purin-6-amine;hydrochloride |
| InChI Key | UQVDQSWZQXDUJB-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN5 |
Caffeine, citrated
CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 PubChem CID: 6241 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 6241 |
|---|---|
| CAS | 69-22-7 |
| Molecular Weight (g/mol) | 386.32 |
| MDL Number | MFCD00044986 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione |
| InChI Key | RCQXSQPPHJPGOF-UHFFFAOYSA-N |
| Molecular Formula | C14H18N4O9 |
6-Mercaptopurine monohydrate, 98%
CAS: 6112-76-1 Molecular Formula: C5H6N4OS Molecular Weight (g/mol): 170.19 MDL Number: MFCD03854445,MFCD01461928 InChI Key: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC Name: 3,7-dihydropurine-6-thione;hydrate SMILES: O.S=C1N=CNC2=C1NC=N2
| PubChem CID | 2724350 |
|---|---|
| CAS | 6112-76-1 |
| Molecular Weight (g/mol) | 170.19 |
| ChEBI | CHEBI:31822 |
| MDL Number | MFCD03854445,MFCD01461928 |
| SMILES | O.S=C1N=CNC2=C1NC=N2 |
| Synonym | 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 |
| IUPAC Name | 3,7-dihydropurine-6-thione;hydrate |
| InChI Key | WFFQYWAAEWLHJC-UHFFFAOYSA-N |
| Molecular Formula | C5H6N4OS |
7-(2-Hydroxyethyl)theophylline, Spectrum™ Chemical
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CAS: 519-37-9
| CAS | 519-37-9 |
|---|
N-Methylpyrrolidone, ACS Reagent, for organic synthesis, prep-LC, and general laboratory use, >99.0%, Solstice
CAS: 872-50-4 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.133 InChI Key: SECXISVLQFMRJM-UHFFFAOYSA-N Synonym: 1-methyl-2-pyrrolidinone,n-methyl-2-pyrrolidone,n-methylpyrrolidone,1-methyl-2-pyrrolidone,methylpyrrolidone,m-pyrol,n-methyl-2-pyrrolidinone,n-methylpyrrolidinone,1-methylpyrrolidinone,2-pyrrolidinone, 1-methyl PubChem CID: 13387 ChEBI: CHEBI:7307 IUPAC Name: 1-methylpyrrolidin-2-one SMILES: CN1CCCC1=O
| PubChem CID | 13387 |
|---|---|
| CAS | 872-50-4 |
| Molecular Weight (g/mol) | 99.133 |
| ChEBI | CHEBI:7307 |
| SMILES | CN1CCCC1=O |
| Synonym | 1-methyl-2-pyrrolidinone,n-methyl-2-pyrrolidone,n-methylpyrrolidone,1-methyl-2-pyrrolidone,methylpyrrolidone,m-pyrol,n-methyl-2-pyrrolidinone,n-methylpyrrolidinone,1-methylpyrrolidinone,2-pyrrolidinone, 1-methyl |
| IUPAC Name | 1-methylpyrrolidin-2-one |
| InChI Key | SECXISVLQFMRJM-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO |
alpha-Acetyl-gamma-butyrolactone, 98+%
CAS: 517-23-7 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00005394 InChI Key: OMQHDIHZSDEIFH-UHFFFAOYNA-N Synonym: 2-acetylbutyrolactone,3-acetyldihydrofuran-2 3h-one,alpha-acetylbutyrolactone,alpha-acetyl-gamma-butyrolactone,3-acetyldihydro-2 3h-furanone,2 3h-furanone, 3-acetyldihydro,3-acetyltetrahydrofuran-2-one,2-oxo-3-acetyltetrahydrofuran,3-acetyltetrahydro-2-furanone,3-acetyl-2 3h-4,5-dihydrofuranone PubChem CID: 10601 IUPAC Name: 3-acetyloxolan-2-one SMILES: CC(=O)C1CCOC1=O
| PubChem CID | 10601 |
|---|---|
| CAS | 517-23-7 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00005394 |
| SMILES | CC(=O)C1CCOC1=O |
| Synonym | 2-acetylbutyrolactone,3-acetyldihydrofuran-2 3h-one,alpha-acetylbutyrolactone,alpha-acetyl-gamma-butyrolactone,3-acetyldihydro-2 3h-furanone,2 3h-furanone, 3-acetyldihydro,3-acetyltetrahydrofuran-2-one,2-oxo-3-acetyltetrahydrofuran,3-acetyltetrahydro-2-furanone,3-acetyl-2 3h-4,5-dihydrofuranone |
| IUPAC Name | 3-acetyloxolan-2-one |
| InChI Key | OMQHDIHZSDEIFH-UHFFFAOYNA-N |
| Molecular Formula | C6H8O3 |
5-Chloro-1,3-benzodioxole, 98%
CAS: 7228-38-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00010842 InChI Key: ODQPZHOXLYATLC-UHFFFAOYSA-N PubChem CID: 138966 IUPAC Name: 5-chloro-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)Cl
| PubChem CID | 138966 |
|---|---|
| CAS | 7228-38-8 |
| Molecular Weight (g/mol) | 156.565 |
| MDL Number | MFCD00010842 |
| SMILES | C1OC2=C(O1)C=C(C=C2)Cl |
| IUPAC Name | 5-chloro-1,3-benzodioxole |
| InChI Key | ODQPZHOXLYATLC-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
Risperidone, 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 |
Thiamine, Hydrochloride, MP Biomedicals
CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
| PubChem CID | 6202 |
|---|---|
| CAS | 67-03-8 |
| Molecular Weight (g/mol) | 337.263 |
| ChEBI | CHEBI:49105 |
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
| Synonym | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
| InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Molecular Formula | C12H18Cl2N4OS |
Thiamine Hydrochloride (Crystalline), MP Biomedicals
CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
| PubChem CID | 6202 |
|---|---|
| CAS | 67-03-8 |
| Molecular Weight (g/mol) | 337.263 |
| ChEBI | CHEBI:49105 |
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
| Synonym | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
| InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Molecular Formula | C12H18Cl2N4OS |
N-Iodosuccinimide, MP Biomedicals
CAS: 516-12-1 Molecular Formula: C4H4INO2 Molecular Weight (g/mol): 224.99 MDL Number: MFCD00005512 InChI Key: LQZMLBORDGWNPD-UHFFFAOYSA-N Synonym: n-iodosuccinimide,succiniodimide,n-iodo succinimide,2,5-pyrrolidinedione, 1-iodo,unii-3cos3x3n4p,nis,succinimide, n-iodo,3cos3x3n4p,1-iodo-pyrrolidine-2,5-dione,1-iodoazolidine-2,5-dione PubChem CID: 120273 ChEBI: CHEBI:53204 IUPAC Name: 1-iodopyrrolidine-2,5-dione SMILES: IN1C(=O)CCC1=O
| PubChem CID | 120273 |
|---|---|
| CAS | 516-12-1 |
| Molecular Weight (g/mol) | 224.99 |
| ChEBI | CHEBI:53204 |
| MDL Number | MFCD00005512 |
| SMILES | IN1C(=O)CCC1=O |
| Synonym | n-iodosuccinimide,succiniodimide,n-iodo succinimide,2,5-pyrrolidinedione, 1-iodo,unii-3cos3x3n4p,nis,succinimide, n-iodo,3cos3x3n4p,1-iodo-pyrrolidine-2,5-dione,1-iodoazolidine-2,5-dione |
| IUPAC Name | 1-iodopyrrolidine-2,5-dione |
| InChI Key | LQZMLBORDGWNPD-UHFFFAOYSA-N |
| Molecular Formula | C4H4INO2 |
1,2-Butylene Oxide, MP Biomedicals
CAS: 106-88-7 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 InChI Key: RBACIKXCRWGCBB-UHFFFAOYSA-N Synonym: 1,2-epoxybutane,1,2-butylene oxide,oxirane, ethyl,ethyloxirane,1,2-butene oxide,ethylethylene oxide,1-butene oxide,oxirane, 2-ethyl,butane, epoxy,1-butylene oxide PubChem CID: 7834 ChEBI: CHEBI:82326 IUPAC Name: 2-ethyloxirane SMILES: CCC1CO1
| PubChem CID | 7834 |
|---|---|
| CAS | 106-88-7 |
| Molecular Weight (g/mol) | 72.107 |
| ChEBI | CHEBI:82326 |
| SMILES | CCC1CO1 |
| Synonym | 1,2-epoxybutane,1,2-butylene oxide,oxirane, ethyl,ethyloxirane,1,2-butene oxide,ethylethylene oxide,1-butene oxide,oxirane, 2-ethyl,butane, epoxy,1-butylene oxide |
| IUPAC Name | 2-ethyloxirane |
| InChI Key | RBACIKXCRWGCBB-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |