Organoheterocyclic compounds
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Phthalic Anhydride 98.0+%, TCI America™
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CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Synonym: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 IUPAC Name: 1,3-dihydro-2-benzofuran-1,3-dione SMILES: O=C1OC(=O)C2=CC=CC=C12
| PubChem CID | 6811 |
|---|---|
| CAS | 85-44-9 |
| Molecular Weight (g/mol) | 148.12 |
| ChEBI | CHEBI:36605 |
| MDL Number | MFCD00005918 |
| SMILES | O=C1OC(=O)C2=CC=CC=C12 |
| Synonym | phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen |
| IUPAC Name | 1,3-dihydro-2-benzofuran-1,3-dione |
| InChI Key | LGRFSURHDFAFJT-UHFFFAOYSA-N |
| Molecular Formula | C8H4O3 |
Trioxsalen 98.0+%, TCI America™
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CAS: 3902-71-4 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00005010 InChI Key: FMHHVULEAZTJMA-UHFFFAOYSA-N Synonym: trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen PubChem CID: 5585 ChEBI: CHEBI:28329 IUPAC Name: 2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one SMILES: CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1
| PubChem CID | 5585 |
|---|---|
| CAS | 3902-71-4 |
| Molecular Weight (g/mol) | 228.25 |
| ChEBI | CHEBI:28329 |
| MDL Number | MFCD00005010 |
| SMILES | CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1 |
| Synonym | trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen |
| IUPAC Name | 2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one |
| InChI Key | FMHHVULEAZTJMA-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
6-Hydroxy-2-pyridinecarboxylic Acid 97.0+%, TCI America™
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CAS: 19621-92-2 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00192220 InChI Key: VRCWSYYXUCKEED-UHFFFAOYSA-N Synonym: 6-hydroxypicolinic acid,6-hydroxy-2-pyridinecarboxylic acid,6-hydroxypyridine-2-carboxylic acid,6-oxo-1,6-dihydropyridine-2-carboxylic acid,6-carboxy-2-hydroxy-pyridine,6-hydroxy-2-pyridine carboxylic acid,6-hydroxy-2-pyridinecarboxylicacid,2-pyridinecarboxylic acid, 1,6-dihydro-6-oxo,2-pyridinecarboxylicacid, 1,6-dihydro-6-oxo,2-pyridinecarboxylic acid,1,6-dihydro-6-oxo PubChem CID: 242721 IUPAC Name: 6-oxo-1H-pyridine-2-carboxylic acid SMILES: C1=CC(=O)NC(=C1)C(=O)O
| PubChem CID | 242721 |
|---|---|
| CAS | 19621-92-2 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00192220 |
| SMILES | C1=CC(=O)NC(=C1)C(=O)O |
| Synonym | 6-hydroxypicolinic acid,6-hydroxy-2-pyridinecarboxylic acid,6-hydroxypyridine-2-carboxylic acid,6-oxo-1,6-dihydropyridine-2-carboxylic acid,6-carboxy-2-hydroxy-pyridine,6-hydroxy-2-pyridine carboxylic acid,6-hydroxy-2-pyridinecarboxylicacid,2-pyridinecarboxylic acid, 1,6-dihydro-6-oxo,2-pyridinecarboxylicacid, 1,6-dihydro-6-oxo,2-pyridinecarboxylic acid,1,6-dihydro-6-oxo |
| IUPAC Name | 6-oxo-1H-pyridine-2-carboxylic acid |
| InChI Key | VRCWSYYXUCKEED-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
1,3,5-Trioxane 99.0+%, TCI America™
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CAS: 110-88-3 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00006563 InChI Key: BGJSXRVXTHVRSN-UHFFFAOYSA-N Synonym: s-trioxane,trioxymethylene,metaformaldehyde,triformol,formaldehyde, trimer,aldeform,formagene,marvosan,trioxan,sym-trioxane PubChem CID: 8081 ChEBI: CHEBI:38043 IUPAC Name: 1,3,5-trioxane SMILES: C1OCOCO1
| PubChem CID | 8081 |
|---|---|
| CAS | 110-88-3 |
| Molecular Weight (g/mol) | 90.078 |
| ChEBI | CHEBI:38043 |
| MDL Number | MFCD00006563 |
| SMILES | C1OCOCO1 |
| Synonym | s-trioxane,trioxymethylene,metaformaldehyde,triformol,formaldehyde, trimer,aldeform,formagene,marvosan,trioxan,sym-trioxane |
| IUPAC Name | 1,3,5-trioxane |
| InChI Key | BGJSXRVXTHVRSN-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3 |
1-Methylpyrrolidine 98.0+%, TCI America™
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CAS: 120-94-5 Molecular Formula: C5H11N Molecular Weight (g/mol): 85.15 MDL Number: MFCD00003173 InChI Key: AVFZOVWCLRSYKC-UHFFFAOYSA-N Synonym: n-methylpyrrolidine,methylpyrrolidine,n-methyltetrahydropyrrole,pyrrolidine, 1-methyl,n-methyl pyrrolidine,1-methyl-pyrrolidine,pyrrolidine, n-methyl,unii-06509tzu6c,methyl pyrrolidine PubChem CID: 8454 IUPAC Name: 1-methylpyrrolidine SMILES: CN1CCCC1
| PubChem CID | 8454 |
|---|---|
| CAS | 120-94-5 |
| Molecular Weight (g/mol) | 85.15 |
| MDL Number | MFCD00003173 |
| SMILES | CN1CCCC1 |
| Synonym | n-methylpyrrolidine,methylpyrrolidine,n-methyltetrahydropyrrole,pyrrolidine, 1-methyl,n-methyl pyrrolidine,1-methyl-pyrrolidine,pyrrolidine, n-methyl,unii-06509tzu6c,methyl pyrrolidine |
| IUPAC Name | 1-methylpyrrolidine |
| InChI Key | AVFZOVWCLRSYKC-UHFFFAOYSA-N |
| Molecular Formula | C5H11N |
NBD-H (=4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine) 98.0+%, TCI America™
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CAS: 131467-87-3 Molecular Formula: C6H9N7O3 Molecular Weight (g/mol): 227.18 MDL Number: MFCD00191508 InChI Key: BLIOAKMSUDUCKB-UHFFFAOYSA-N Synonym: 4-Hydrazino-7-nitrobenzofurazan Hydrazine, 4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine PubChem CID: 16218437 IUPAC Name: 4-hydrazinyl-7-nitro-2,1,3-benzoxadiazole; hydrazine SMILES: NN.NNC1=CC=C(C2=NON=C12)[N+]([O-])=O
| PubChem CID | 16218437 |
|---|---|
| CAS | 131467-87-3 |
| Molecular Weight (g/mol) | 227.18 |
| MDL Number | MFCD00191508 |
| SMILES | NN.NNC1=CC=C(C2=NON=C12)[N+]([O-])=O |
| Synonym | 4-Hydrazino-7-nitrobenzofurazan Hydrazine, 4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine |
| IUPAC Name | 4-hydrazinyl-7-nitro-2,1,3-benzoxadiazole; hydrazine |
| InChI Key | BLIOAKMSUDUCKB-UHFFFAOYSA-N |
| Molecular Formula | C6H9N7O3 |
Pyridinium p-Toluenesulfonate 98.0+%, TCI America™
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CAS: 24057-28-1 Molecular Formula: C12H13NO3S MDL Number: MFCD00013108 Synonym: pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt
| CAS | 24057-28-1 |
|---|---|
| MDL Number | MFCD00013108 |
| Synonym | pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt |
| Molecular Formula | C12H13NO3S |
Ammeline 95.0+%, TCI America™
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CAS: 645-92-1 Molecular Formula: C3H5N5O Molecular Weight (g/mol): 127.107 MDL Number: MFCD00023186 InChI Key: MASBWURJQFFLOO-UHFFFAOYSA-N Synonym: ammeline,4,6-diamino-1,3,5-triazin-2-ol,ammelin,1,3,5-triazin-2 1h-one, 4,6-diamino,2,4-diamino-6-hydroxy-1,3,5-triazine,cyanurodiamide,2,4-diamino-1,3,5-triazin-6-one,4,6-diamino-1,3,5-triazin-2 1h-one,unii-lc8g9556q0,s-triazin-2-ol, 4,6-diamino PubChem CID: 12583 ChEBI: CHEBI:28646 IUPAC Name: 2,6-diamino-1H-1,3,5-triazin-4-one SMILES: C1(=NC(=O)N=C(N1)N)N
| PubChem CID | 12583 |
|---|---|
| CAS | 645-92-1 |
| Molecular Weight (g/mol) | 127.107 |
| ChEBI | CHEBI:28646 |
| MDL Number | MFCD00023186 |
| SMILES | C1(=NC(=O)N=C(N1)N)N |
| Synonym | ammeline,4,6-diamino-1,3,5-triazin-2-ol,ammelin,1,3,5-triazin-2 1h-one, 4,6-diamino,2,4-diamino-6-hydroxy-1,3,5-triazine,cyanurodiamide,2,4-diamino-1,3,5-triazin-6-one,4,6-diamino-1,3,5-triazin-2 1h-one,unii-lc8g9556q0,s-triazin-2-ol, 4,6-diamino |
| IUPAC Name | 2,6-diamino-1H-1,3,5-triazin-4-one |
| InChI Key | MASBWURJQFFLOO-UHFFFAOYSA-N |
| Molecular Formula | C3H5N5O |
Acyclovir 98.0+%, TCI America™
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CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N Synonym: acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum PubChem CID: 2022 ChEBI: CHEBI:2453 IUPAC Name: 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1
| PubChem CID | 2022 |
|---|---|
| CAS | 59277-89-3 |
| Molecular Weight (g/mol) | 225.21 |
| ChEBI | CHEBI:2453 |
| MDL Number | MFCD00057880 |
| SMILES | NC1=NC2=C(N=CN2COCCO)C(=O)N1 |
| Synonym | acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum |
| IUPAC Name | 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one |
| InChI Key | MKUXAQIIEYXACX-UHFFFAOYSA-N |
| Molecular Formula | C8H11N5O3 |
5-Aminoisophthalic Acid Hydrate 98.0+%, TCI America™
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CAS: 99-31-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00002522 InChI Key: KBZFDRWPMZESDI-UHFFFAOYSA-N Synonym: 5-aminoisophthalic acid,1,3-benzenedicarboxylic acid, 5-amino,5-amino-1,3-isophthalic acid,isophthalic acid, 5-amino,5-amino-1,3-benzenedicarboxylic acid,3,5-dicarboxyaniline,5-aminoisophtalic acid,3,5-dicarboxy-aniline,pubchem20539,anhydrous PubChem CID: 66833 IUPAC Name: 5-aminobenzene-1,3-dicarboxylic acid SMILES: C1=C(C=C(C=C1C(=O)O)N)C(=O)O
| PubChem CID | 66833 |
|---|---|
| CAS | 99-31-0 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00002522 |
| SMILES | C1=C(C=C(C=C1C(=O)O)N)C(=O)O |
| Synonym | 5-aminoisophthalic acid,1,3-benzenedicarboxylic acid, 5-amino,5-amino-1,3-isophthalic acid,isophthalic acid, 5-amino,5-amino-1,3-benzenedicarboxylic acid,3,5-dicarboxyaniline,5-aminoisophtalic acid,3,5-dicarboxy-aniline,pubchem20539,anhydrous |
| IUPAC Name | 5-aminobenzene-1,3-dicarboxylic acid |
| InChI Key | KBZFDRWPMZESDI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Span 60 (=Sorbitan Monostearate), TCI America™
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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 Synonym: sorbitan stearate,sorbitan stearate inn,span 60 tn,sorbitan monostearate nf PubChem CID: 23725022 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
| PubChem CID | 23725022 |
|---|---|
| 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 |
| Synonym | sorbitan stearate,sorbitan stearate inn,span 60 tn,sorbitan monostearate nf |
| IUPAC Name | 2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadecanoate |
| InChI Key | HVUMOYIDDBPOLL-IIZJTUPISA-N |
| Molecular Formula | C24H46O6 |
Thiamine Pyrophosphate Chloride 98.0+%, TCI America™
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Thiocyanuric Acid 98.0+%, TCI America™
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CAS: 638-16-4 Molecular Formula: C3H3N3S3 Molecular Weight (g/mol): 177.258 MDL Number: MFCD00006052 InChI Key: WZRRRFSJFQTGGB-UHFFFAOYSA-N Synonym: trithiocyanuric acid,thiocyanuric acid,1,3,5-triazine-2,4,6-trithiol,trismercaptotriazine,trimercaptocyanuric acid,cyanuric acid, trithio,usaf th-3,1,3,5-triazine-2,4,6 1h,3h,5h-trithione,s-triazine-2,4,6-trithiol,2,4,6-triazinetrithiol PubChem CID: 1268121 IUPAC Name: 1,3,5-triazinane-2,4,6-trithione SMILES: C1(=S)NC(=S)NC(=S)N1
| PubChem CID | 1268121 |
|---|---|
| CAS | 638-16-4 |
| Molecular Weight (g/mol) | 177.258 |
| MDL Number | MFCD00006052 |
| SMILES | C1(=S)NC(=S)NC(=S)N1 |
| Synonym | trithiocyanuric acid,thiocyanuric acid,1,3,5-triazine-2,4,6-trithiol,trismercaptotriazine,trimercaptocyanuric acid,cyanuric acid, trithio,usaf th-3,1,3,5-triazine-2,4,6 1h,3h,5h-trithione,s-triazine-2,4,6-trithiol,2,4,6-triazinetrithiol |
| IUPAC Name | 1,3,5-triazinane-2,4,6-trithione |
| InChI Key | WZRRRFSJFQTGGB-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3S3 |
2-Amino-3,5-dibromopyridine 98.0+%, TCI America™
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CAS: 35486-42-1 Molecular Formula: C5H4Br2N2 Molecular Weight (g/mol): 251.909 MDL Number: MFCD00038041 InChI Key: WJMJWMSWJSACSN-UHFFFAOYSA-N Synonym: 2-amino-3,5-dibromopyridine,3,5-dibromo-2-pyridylamine,2-pyridinamine, 3,5-dibromo,3,5-dibromo-2-pyridinamine,3,5-dibromo-pyridin-2-ylamine,3,5-dibromo-2-pyridinylamine,2-amino-3,5-dibromo pyridine,3,5-dibrompyridin-2-amin,pubchem1130,maybridge1_001693 PubChem CID: 98851 IUPAC Name: 3,5-dibromopyridin-2-amine SMILES: C1=C(C=NC(=C1Br)N)Br
| PubChem CID | 98851 |
|---|---|
| CAS | 35486-42-1 |
| Molecular Weight (g/mol) | 251.909 |
| MDL Number | MFCD00038041 |
| SMILES | C1=C(C=NC(=C1Br)N)Br |
| Synonym | 2-amino-3,5-dibromopyridine,3,5-dibromo-2-pyridylamine,2-pyridinamine, 3,5-dibromo,3,5-dibromo-2-pyridinamine,3,5-dibromo-pyridin-2-ylamine,3,5-dibromo-2-pyridinylamine,2-amino-3,5-dibromo pyridine,3,5-dibrompyridin-2-amin,pubchem1130,maybridge1_001693 |
| IUPAC Name | 3,5-dibromopyridin-2-amine |
| InChI Key | WJMJWMSWJSACSN-UHFFFAOYSA-N |
| Molecular Formula | C5H4Br2N2 |
Mizolastine 98.0+%, TCI America™
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CAS: 108612-45-9 Molecular Formula: C24H25FN6O Molecular Weight (g/mol): 432.50 MDL Number: MFCD00864625 InChI Key: PVLJETXTTWAYEW-UHFFFAOYSA-N PubChem CID: 65906 IUPAC Name: 2-[(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidin-4-yl)(methyl)amino]-3,4-dihydropyrimidin-4-one SMILES: CN(C1CCN(CC1)C1=NC2=CC=CC=C2N1CC1=CC=C(F)C=C1)C1=NC=CC(=O)N1
| PubChem CID | 65906 |
|---|---|
| CAS | 108612-45-9 |
| Molecular Weight (g/mol) | 432.50 |
| MDL Number | MFCD00864625 |
| SMILES | CN(C1CCN(CC1)C1=NC2=CC=CC=C2N1CC1=CC=C(F)C=C1)C1=NC=CC(=O)N1 |
| IUPAC Name | 2-[(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidin-4-yl)(methyl)amino]-3,4-dihydropyrimidin-4-one |
| InChI Key | PVLJETXTTWAYEW-UHFFFAOYSA-N |
| Molecular Formula | C24H25FN6O |