Organoheterocyclic compounds
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Imatinib 98.0+%, TCI America™
CAS: 152459-95-5 Molecular Formula: C29H31N7O Molecular Weight (g/mol): 493.62 MDL Number: MFCD05662257 InChI Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N PubChem CID: 5291 ChEBI: CHEBI:45783 IUPAC Name: N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide SMILES: CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1
| PubChem CID | 5291 |
|---|---|
| CAS | 152459-95-5 |
| Molecular Weight (g/mol) | 493.62 |
| ChEBI | CHEBI:45783 |
| MDL Number | MFCD05662257 |
| SMILES | CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1 |
| IUPAC Name | N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
| InChI Key | KTUFNOKKBVMGRW-UHFFFAOYSA-N |
| Molecular Formula | C29H31N7O |
Isoquinoline N-Oxide, TCI America™
CAS: 1532-72-5 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00006903 InChI Key: RZIAABRFQASVSW-UHFFFAOYSA-N Synonym: isoquinoline n-oxide,isoquinoline 2-oxide,isoquinoline-n-oxide,isoquinoline oxide,isoquinoline, 2-oxide,isoquinolin-n-oxide,isoquinolin-2-ium-2-olate,isoquinolinen-oxide,acmc-1boxv,2-oxido-isoquinolin-2-ium PubChem CID: 290378 IUPAC Name: 2-oxidoisoquinolin-2-ium SMILES: C1=CC=C2C=[N+](C=CC2=C1)[O-]
| PubChem CID | 290378 |
|---|---|
| CAS | 1532-72-5 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD00006903 |
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)[O-] |
| Synonym | isoquinoline n-oxide,isoquinoline 2-oxide,isoquinoline-n-oxide,isoquinoline oxide,isoquinoline, 2-oxide,isoquinolin-n-oxide,isoquinolin-2-ium-2-olate,isoquinolinen-oxide,acmc-1boxv,2-oxido-isoquinolin-2-ium |
| IUPAC Name | 2-oxidoisoquinolin-2-ium |
| InChI Key | RZIAABRFQASVSW-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
N-Succinimidyl Trifluoroacetate 95.0+%, TCI America™
CAS: 5672-89-9 Molecular Formula: C6H4F3NO4 Molecular Weight (g/mol): 211.096 MDL Number: MFCD00595252 InChI Key: NIANZCQUVKPGSF-UHFFFAOYSA-N Synonym: Trifluoroacetic Acid N-Succinimidyl Ester, N-(Trifluoroacetoxy)succinimide, TFA-NHS PubChem CID: 10867564 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate SMILES: C1CC(=O)N(C1=O)OC(=O)C(F)(F)F
| PubChem CID | 10867564 |
|---|---|
| CAS | 5672-89-9 |
| Molecular Weight (g/mol) | 211.096 |
| MDL Number | MFCD00595252 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)C(F)(F)F |
| Synonym | Trifluoroacetic Acid N-Succinimidyl Ester, N-(Trifluoroacetoxy)succinimide, TFA-NHS |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate |
| InChI Key | NIANZCQUVKPGSF-UHFFFAOYSA-N |
| Molecular Formula | C6H4F3NO4 |
4-Aminopyridine 99.0+%, TCI America™
CAS: 504-24-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.117 MDL Number: MFCD00006439 InChI Key: NUKYPUAOHBNCPY-UHFFFAOYSA-N Synonym: 4-aminopyridine,fampridine,4-pyridinamine,dalfampridine,4-pyridylamine,avitrol,p-aminopyridine,4-ap,ampyra,gamma-aminopyridine PubChem CID: 1727 ChEBI: CHEBI:34385 IUPAC Name: pyridin-4-amine SMILES: C1=CN=CC=C1N
| PubChem CID | 1727 |
|---|---|
| CAS | 504-24-5 |
| Molecular Weight (g/mol) | 94.117 |
| ChEBI | CHEBI:34385 |
| MDL Number | MFCD00006439 |
| SMILES | C1=CN=CC=C1N |
| Synonym | 4-aminopyridine,fampridine,4-pyridinamine,dalfampridine,4-pyridylamine,avitrol,p-aminopyridine,4-ap,ampyra,gamma-aminopyridine |
| IUPAC Name | pyridin-4-amine |
| InChI Key | NUKYPUAOHBNCPY-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
5-Bromo-3-pyridinecarbonitrile 98.0+%, TCI America™
CAS: 35590-37-5 Molecular Formula: C6H3BrN2 Molecular Weight (g/mol): 183.01 MDL Number: MFCD00174363 InChI Key: FTFFHWWIPOQCBC-UHFFFAOYSA-N Synonym: 5-bromonicotinonitrile,3-bromo-5-cyanopyridine,5-bromo-3-cyanopyridine,3-cyano-5-bromopyridine,3-pyridinecarbonitrile, 5-bromo,3-bromo-5-cyano-pyridine,5-bromo-3-pyridinecarbonitrile,pubchem7702,acmc-209ihz,ksc492g7p PubChem CID: 736793 IUPAC Name: 5-bromopyridine-3-carbonitrile SMILES: BrC1=CN=CC(=C1)C#N
| PubChem CID | 736793 |
|---|---|
| CAS | 35590-37-5 |
| Molecular Weight (g/mol) | 183.01 |
| MDL Number | MFCD00174363 |
| SMILES | BrC1=CN=CC(=C1)C#N |
| Synonym | 5-bromonicotinonitrile,3-bromo-5-cyanopyridine,5-bromo-3-cyanopyridine,3-cyano-5-bromopyridine,3-pyridinecarbonitrile, 5-bromo,3-bromo-5-cyano-pyridine,5-bromo-3-pyridinecarbonitrile,pubchem7702,acmc-209ihz,ksc492g7p |
| IUPAC Name | 5-bromopyridine-3-carbonitrile |
| InChI Key | FTFFHWWIPOQCBC-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2 |
Propylene Oxide 99.0+%, TCI America™
CAS: 75-56-9 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00005126 InChI Key: GOOHAUXETOMSMM-UHFFFAOYNA-N Synonym: propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane PubChem CID: 6378 ChEBI: CHEBI:38685 IUPAC Name: 2-methyloxirane SMILES: CC1CO1
| PubChem CID | 6378 |
|---|---|
| CAS | 75-56-9 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:38685 |
| MDL Number | MFCD00005126 |
| SMILES | CC1CO1 |
| Synonym | propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane |
| IUPAC Name | 2-methyloxirane |
| InChI Key | GOOHAUXETOMSMM-UHFFFAOYNA-N |
| Molecular Formula | C3H6O |
Maleimide 98.0+%, TCI America™
CAS: 541-59-3 Molecular Formula: C8H4AgKN2O4 Molecular Weight (g/mol): 339.10 MDL Number: MFCD00005494 InChI Key: KWLWLQRUFFGWNG-UHFFFAOYSA-L Synonym: maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one PubChem CID: 10935 ChEBI: CHEBI:16072 IUPAC Name: potassium silver(1+) bis(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-ide) SMILES: [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1
| PubChem CID | 10935 |
|---|---|
| CAS | 541-59-3 |
| Molecular Weight (g/mol) | 339.10 |
| ChEBI | CHEBI:16072 |
| MDL Number | MFCD00005494 |
| SMILES | [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1 |
| Synonym | maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one |
| IUPAC Name | potassium silver(1+) bis(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-ide) |
| InChI Key | KWLWLQRUFFGWNG-UHFFFAOYSA-L |
| Molecular Formula | C8H4AgKN2O4 |
Phthalazine 98.0+%, TCI America™
CAS: 253-52-1 Molecular Formula: C8H6N2 Molecular Weight (g/mol): 130.15 MDL Number: MFCD00006908 InChI Key: LFSXCDWNBUNEEM-UHFFFAOYSA-N Synonym: 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine PubChem CID: 9207 ChEBI: CHEBI:36597 IUPAC Name: phthalazine SMILES: C1=CC=C2C=NN=CC2=C1
| PubChem CID | 9207 |
|---|---|
| CAS | 253-52-1 |
| Molecular Weight (g/mol) | 130.15 |
| ChEBI | CHEBI:36597 |
| MDL Number | MFCD00006908 |
| SMILES | C1=CC=C2C=NN=CC2=C1 |
| Synonym | 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine |
| IUPAC Name | phthalazine |
| InChI Key | LFSXCDWNBUNEEM-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2 |
Phthalazone 98.0+%, TCI America™
CAS: 119-39-1 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.149 MDL Number: MFCD00006892 InChI Key: IJAPPYDYQCXOEF-UHFFFAOYSA-N Synonym: 1 2h-phthalazinone,phthalazin-1 2h-one,phthalazone,phthalazinone,phthalazin-1-one,1-phthalazinol,phthalazin-1-ol,1-hydroxyphthalazine,1 2h phthalazinone,1,2-dihydrophthalazin-1-one PubChem CID: 8394 ChEBI: CHEBI:34023 IUPAC Name: 2H-phthalazin-1-one SMILES: C1=CC=C2C(=C1)C=NNC2=O
| PubChem CID | 8394 |
|---|---|
| CAS | 119-39-1 |
| Molecular Weight (g/mol) | 146.149 |
| ChEBI | CHEBI:34023 |
| MDL Number | MFCD00006892 |
| SMILES | C1=CC=C2C(=C1)C=NNC2=O |
| Synonym | 1 2h-phthalazinone,phthalazin-1 2h-one,phthalazone,phthalazinone,phthalazin-1-one,1-phthalazinol,phthalazin-1-ol,1-hydroxyphthalazine,1 2h phthalazinone,1,2-dihydrophthalazin-1-one |
| IUPAC Name | 2H-phthalazin-1-one |
| InChI Key | IJAPPYDYQCXOEF-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
Adenine Hydrochloride Hemihydrate 98.0+%, TCI America™
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 |
1-Methylpyrrolidine 98.0+%, TCI America™
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 |
1-Butyl-3-methylimidazolium Hexafluorophosphate 98.0+%, TCI America™
CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 IUPAC Name: 1-butyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734174 |
|---|---|
| CAS | 174501-64-5 |
| Molecular Weight (g/mol) | 284.19 |
| MDL Number | MFCD03093295 |
| SMILES | F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate |
| IUPAC Name | 1-butyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide |
| InChI Key | IXQYBUDWDLYNMA-UHFFFAOYSA-N |
| Molecular Formula | C8H15F6N2P |
Pyridinium p-Toluenesulfonate 98.0+%, TCI America™
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™
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 |
5-Aminoisophthalic Acid Hydrate 98.0+%, TCI America™
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 |