Organoheterocyclic compounds
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Povidone K-30, USP, Spectrum™ Chemical
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CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| CAS | 9003-39-8 |
|---|---|
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |
2-Mercaptothiazoline, 98%
CAS: 96-53-7 Molecular Formula: C3H5NS2 Molecular Weight (g/mol): 119.21 MDL Number: MFCD00126013 InChI Key: WGJCBBASTRWVJL-UHFFFAOYSA-N Synonym: 2-mercaptothiazoline,2-thiazolidinethione,2-thiazoline-2-thiol,thiazolidine-2-thione,metabasal,thyroidan,2-mercapto-2-thiazoline,mercaptothiazoline,2-thiothiazolidone,2-thiazolidenethione PubChem CID: 2723699 IUPAC Name: 1,3-thiazolidine-2-thione SMILES: C1CSC(=S)N1
| PubChem CID | 2723699 |
|---|---|
| CAS | 96-53-7 |
| Molecular Weight (g/mol) | 119.21 |
| MDL Number | MFCD00126013 |
| SMILES | C1CSC(=S)N1 |
| Synonym | 2-mercaptothiazoline,2-thiazolidinethione,2-thiazoline-2-thiol,thiazolidine-2-thione,metabasal,thyroidan,2-mercapto-2-thiazoline,mercaptothiazoline,2-thiothiazolidone,2-thiazolidenethione |
| IUPAC Name | 1,3-thiazolidine-2-thione |
| InChI Key | WGJCBBASTRWVJL-UHFFFAOYSA-N |
| Molecular Formula | C3H5NS2 |
Omeprazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 73590-58-6 Molecular Formula: C17H19N3O3S Molecular Weight (g/mol): 345.42 InChI Key: SUBDBMMJDZJVOS-UHFFFAOYNA-N IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole SMILES: COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C
| CAS | 73590-58-6 |
|---|---|
| Molecular Weight (g/mol) | 345.42 |
| SMILES | COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C |
| IUPAC Name | 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole |
| InChI Key | SUBDBMMJDZJVOS-UHFFFAOYNA-N |
| Molecular Formula | C17H19N3O3S |
beta-Naphthoflavone, 99+%
CAS: 6051-87-2 Molecular Formula: C19H12O2 Molecular Weight (g/mol): 272.29 MDL Number: MFCD00004986 InChI Key: OUGIDAPQYNCXRA-UHFFFAOYSA-N Synonym: beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone PubChem CID: 2361 ChEBI: CHEBI:77013 IUPAC Name: 3-phenylbenzo[f]chromen-1-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
| PubChem CID | 2361 |
|---|---|
| CAS | 6051-87-2 |
| Molecular Weight (g/mol) | 272.29 |
| ChEBI | CHEBI:77013 |
| MDL Number | MFCD00004986 |
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43 |
| Synonym | beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone |
| IUPAC Name | 3-phenylbenzo[f]chromen-1-one |
| InChI Key | OUGIDAPQYNCXRA-UHFFFAOYSA-N |
| Molecular Formula | C19H12O2 |
Polyvinylpyrrolidone K-15, Spectrum™ Chemical
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CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| CAS | 9003-39-8 |
|---|---|
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |
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 |
Azelastine hydrochloride
CAS: 79307-93-0 Molecular Formula: C22H25Cl2N3O Molecular Weight (g/mol): 418.36 MDL Number: MFCD00242783 InChI Key: YEJAJYAHJQIWNU-UHFFFAOYNA-N IUPAC Name: hydrogen 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one chloride SMILES: [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O
| CAS | 79307-93-0 |
|---|---|
| Molecular Weight (g/mol) | 418.36 |
| MDL Number | MFCD00242783 |
| SMILES | [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O |
| IUPAC Name | hydrogen 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one chloride |
| InChI Key | YEJAJYAHJQIWNU-UHFFFAOYNA-N |
| Molecular Formula | C22H25Cl2N3O |
8-Oxa-3-azabicyclo[3.2.1]octane hydrochloride, 97%
CAS: 54745-74-3 Molecular Formula: C6H12ClNO Molecular Weight (g/mol): 149.62 MDL Number: MFCD17926456,MFCD09800611 InChI Key: XADOTNAXKKFKDY-UHFFFAOYNA-N Synonym: 8-oxa-3-azabicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclo 3,2,1 octane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane hcl,8-oxa-3-azabicyclo 3.2.1 octanehydrochloride,8-oxa-3-azabicyclo 3.2.1 octane, hydrochloride,8-oxa-3-aza-bicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclooctane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane-hcl,8-oxa-3-aza-bicyclo 3.2.1 octane hcl PubChem CID: 21983536 SMILES: Cl.C1CC2CNCC1O2
| PubChem CID | 21983536 |
|---|---|
| CAS | 54745-74-3 |
| Molecular Weight (g/mol) | 149.62 |
| MDL Number | MFCD17926456,MFCD09800611 |
| SMILES | Cl.C1CC2CNCC1O2 |
| Synonym | 8-oxa-3-azabicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclo 3,2,1 octane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane hcl,8-oxa-3-azabicyclo 3.2.1 octanehydrochloride,8-oxa-3-azabicyclo 3.2.1 octane, hydrochloride,8-oxa-3-aza-bicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclooctane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane-hcl,8-oxa-3-aza-bicyclo 3.2.1 octane hcl |
| InChI Key | XADOTNAXKKFKDY-UHFFFAOYNA-N |
| Molecular Formula | C6H12ClNO |
Phthalocyanine, MP Biomedicals
CAS: 574-93-6 Molecular Formula: C32H18N8 Molecular Weight (g/mol): 514.552 InChI Key: IEQIEDJGQAUEQZ-UHFFFAOYSA-N Synonym: phthalocyanine,pigment blue 16,29h,31h-phthalocyanine,phthalocyanin,heliogen blue g,polymon blue g,lionol blue kw,irgazin blue 3gt,ftalocianina,ci pigment blue 16 PubChem CID: 5282330 ChEBI: CHEBI:34921 SMILES: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3
| PubChem CID | 5282330 |
|---|---|
| CAS | 574-93-6 |
| Molecular Weight (g/mol) | 514.552 |
| ChEBI | CHEBI:34921 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3 |
| Synonym | phthalocyanine,pigment blue 16,29h,31h-phthalocyanine,phthalocyanin,heliogen blue g,polymon blue g,lionol blue kw,irgazin blue 3gt,ftalocianina,ci pigment blue 16 |
| InChI Key | IEQIEDJGQAUEQZ-UHFFFAOYSA-N |
| Molecular Formula | C32H18N8 |
Thermo Scientific Chemicals Giemsa Stain
CAS: 51811-82-6 Molecular Formula: C14H14ClN3S Molecular Weight (g/mol): 291.80 MDL Number: MFCD00012112,MFCD00081642 InChI Key: NALREUIWICQLPS-UHFFFAOYSA-N Synonym: azure a,dimethylthionine,giemsa stain,azur a,n,n-dimethylthionine,3-amino-7-dimethylamino phenothiazin-5-ium chloride,methylene azure a,giemsa solution,3-amino-7-dimethylaminophenazathionium chloride,unii-m731v243ef PubChem CID: 13735 IUPAC Name: (7-aminophenothiazin-3-ylidene)-dimethylazanium;chloride SMILES: [Cl-].C[N+](C)=C1C=CC2=NC3=CC=C(N)C=C3SC2=C1
| PubChem CID | 13735 |
|---|---|
| CAS | 51811-82-6 |
| Molecular Weight (g/mol) | 291.80 |
| MDL Number | MFCD00012112,MFCD00081642 |
| SMILES | [Cl-].C[N+](C)=C1C=CC2=NC3=CC=C(N)C=C3SC2=C1 |
| Synonym | azure a,dimethylthionine,giemsa stain,azur a,n,n-dimethylthionine,3-amino-7-dimethylamino phenothiazin-5-ium chloride,methylene azure a,giemsa solution,3-amino-7-dimethylaminophenazathionium chloride,unii-m731v243ef |
| IUPAC Name | (7-aminophenothiazin-3-ylidene)-dimethylazanium;chloride |
| InChI Key | NALREUIWICQLPS-UHFFFAOYSA-N |
| Molecular Formula | C14H14ClN3S |
Meloxicam, USP, 98-102%, Spectrum™ Chemical
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CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.40 MDL Number: MFCD00868752 InChI Key: DWMREKMVXIFPFM-ACCUITESSA-N IUPAC Name: (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine-1,1,4-trione SMILES: CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O
| CAS | 71125-38-7 |
|---|---|
| Molecular Weight (g/mol) | 351.40 |
| MDL Number | MFCD00868752 |
| SMILES | CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O |
| IUPAC Name | (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine-1,1,4-trione |
| InChI Key | DWMREKMVXIFPFM-ACCUITESSA-N |
| Molecular Formula | C14H13N3O4S2 |
7-Bromo-2H-1,4-benzothiazin-3(4H)-one, 97%
CAS: 90814-91-8 Molecular Formula: C8H6BrNOS Molecular Weight (g/mol): 244.11 MDL Number: MFCD02660583 InChI Key: MDFPWMKBRDOSGB-UHFFFAOYSA-N Synonym: 7-bromo-2h-1,4-benzothiazin-3 4h-one,7-bromo-2h-benzo b 1,4 thiazin-3 4h-one,7-bromo-3,4-dihydro-2h-1,4-benzothiazin-3-one,7-bromo-2h,4h-benzo e 1,4-thiazin-3-one,7-bromo-2,4-dihydro-1,4-benzothiazin-3-one,2h-1,4-benzothiazin-3 4h-one, 7-bromo,7-bromo-4h-benzo 1,4 thiazin-3-one PubChem CID: 689065 SMILES: BrC1=CC2=C(NC(=O)CS2)C=C1
| PubChem CID | 689065 |
|---|---|
| CAS | 90814-91-8 |
| Molecular Weight (g/mol) | 244.11 |
| MDL Number | MFCD02660583 |
| SMILES | BrC1=CC2=C(NC(=O)CS2)C=C1 |
| Synonym | 7-bromo-2h-1,4-benzothiazin-3 4h-one,7-bromo-2h-benzo b 1,4 thiazin-3 4h-one,7-bromo-3,4-dihydro-2h-1,4-benzothiazin-3-one,7-bromo-2h,4h-benzo e 1,4-thiazin-3-one,7-bromo-2,4-dihydro-1,4-benzothiazin-3-one,2h-1,4-benzothiazin-3 4h-one, 7-bromo,7-bromo-4h-benzo 1,4 thiazin-3-one |
| InChI Key | MDFPWMKBRDOSGB-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNOS |
7-(2,3-Dihydroxypropyl)theophylline, 99%
CAS: 479-18-5 Molecular Formula: C10H14N4O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00005759 InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
| PubChem CID | 3182 |
|---|---|
| CAS | 479-18-5 |
| Molecular Weight (g/mol) | 254.24 |
| ChEBI | CHEBI:4728 |
| MDL Number | MFCD00005759 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O |
| Synonym | dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline |
| IUPAC Name | 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione |
| InChI Key | KSCFJBIXMNOVSH-UHFFFAOYSA-N |
| Molecular Formula | C10H14N4O4 |
Caffeine, Anhydrous, USP, Spectrum™ Chemical
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CAS: 58-08-2
| CAS | 58-08-2 |
|---|
Adenine Hemisulfate Dihydrate, ≥99%, MP Biomedicals™
CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
| PubChem CID | 44134512 |
|---|---|
| CAS | 6509-19-9 |
| Molecular Weight (g/mol) | 404.36 |
| MDL Number | MFCD00150149 |
| SMILES | O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1 |
| Synonym | 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 |
| IUPAC Name | bis(7H-purin-6-amine) sulfuric acid dihydrate |
| InChI Key | MKPCNMXYTMQZBE-UHFFFAOYSA-N |
| Molecular Formula | C10H16N10O6S |