Organoheterocyclic compounds
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Clioquinol, USP, 93-100.5%, Spectrum™ Chemical
CAS: 130-26-7 Molecular Formula: C9H5ClINO Molecular Weight (g/mol): 305.50 InChI Key: QCDFBFJGMNKBDO-UHFFFAOYSA-N IUPAC Name: 5-chloro-7-iodoquinolin-8-ol SMILES: OC1=C2N=CC=CC2=C(Cl)C=C1I
| CAS | 130-26-7 |
|---|---|
| Molecular Weight (g/mol) | 305.50 |
| SMILES | OC1=C2N=CC=CC2=C(Cl)C=C1I |
| IUPAC Name | 5-chloro-7-iodoquinolin-8-ol |
| InChI Key | QCDFBFJGMNKBDO-UHFFFAOYSA-N |
| Molecular Formula | C9H5ClINO |
Ketotifen Hydrogen Fumarate, EP, 98.5-101%, Spectrum™ Chemical
CAS: 34580-14-8 Molecular Formula: C23H23NO5S Molecular Weight (g/mol): 425.50 InChI Key: YNQQEYBLVYAWNX-WLHGVMLRSA-N IUPAC Name: (2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one SMILES: OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12
| CAS | 34580-14-8 |
|---|---|
| Molecular Weight (g/mol) | 425.50 |
| SMILES | OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12 |
| IUPAC Name | (2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one |
| InChI Key | YNQQEYBLVYAWNX-WLHGVMLRSA-N |
| Molecular Formula | C23H23NO5S |
Methyl Nicotinate, Reagent, 99%, Spectrum™ Chemical
CAS: 93-60-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 InChI Key: YNBADRVTZLEFNH-UHFFFAOYSA-N IUPAC Name: methyl pyridine-3-carboxylate SMILES: COC(=O)C1=CC=CN=C1
| CAS | 93-60-7 |
|---|---|
| Molecular Weight (g/mol) | 137.14 |
| SMILES | COC(=O)C1=CC=CN=C1 |
| IUPAC Name | methyl pyridine-3-carboxylate |
| InChI Key | YNBADRVTZLEFNH-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Fenbendazole, USP, 98-101%, Spectrum™ Chemical
CAS: 43210-67-9 Molecular Formula: C15H13N3O2S Molecular Weight (g/mol): 299.35 InChI Key: HDDSHPAODJUKPD-UHFFFAOYSA-N IUPAC Name: methyl N-[6-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate SMILES: COC(=O)NC1=NC2=CC=C(SC3=CC=CC=C3)C=C2N1
| CAS | 43210-67-9 |
|---|---|
| Molecular Weight (g/mol) | 299.35 |
| SMILES | COC(=O)NC1=NC2=CC=C(SC3=CC=CC=C3)C=C2N1 |
| IUPAC Name | methyl N-[6-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate |
| InChI Key | HDDSHPAODJUKPD-UHFFFAOYSA-N |
| Molecular Formula | C15H13N3O2S |
Alpha Lipoic Acid Dietary Supplement, USP, 99-101%, Spectrum™ Chemical
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N IUPAC Name: 5-(1,2-dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| CAS | 1077-28-7 |
|---|---|
| Molecular Weight (g/mol) | 206.32 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| IUPAC Name | 5-(1,2-dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
MilliporeSigma™ Propidium Iodide, Calbiochem™,
CAS: 25535-16-4 Molecular Formula: C27H34I2N4 Molecular Weight (g/mol): 668.406 InChI Key: XJMOSONTPMZWPB-UHFFFAOYSA-M Synonym: propidium iodide,propidium diiodide,3,8-diamino-5-3-diethyl methyl ammonio propyl-6-phenylphenanthridin-5-ium iodide,unii-tp416o228t,3,8-diamino-5-3-diethylmethylammonio propyl-6-phenylphenanthridinium diiodide,3,8-diamino-5-3-diethylaminopropyl-6-phenylphenanthridinium iodide methiodide,phenanthridinium, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenyl-, diiodide PubChem CID: 104981 ChEBI: CHEBI:51240 IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide SMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]
| PubChem CID | 104981 |
|---|---|
| CAS | 25535-16-4 |
| Molecular Weight (g/mol) | 668.406 |
| ChEBI | CHEBI:51240 |
| SMILES | CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-] |
| Synonym | propidium iodide,propidium diiodide,3,8-diamino-5-3-diethyl methyl ammonio propyl-6-phenylphenanthridin-5-ium iodide,unii-tp416o228t,3,8-diamino-5-3-diethylmethylammonio propyl-6-phenylphenanthridinium diiodide,3,8-diamino-5-3-diethylaminopropyl-6-phenylphenanthridinium iodide methiodide,phenanthridinium, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenyl-, diiodide |
| IUPAC Name | 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide |
| InChI Key | XJMOSONTPMZWPB-UHFFFAOYSA-M |
| Molecular Formula | C27H34I2N4 |
MilliporeSigma™ Propidium Iodide Solution, Calbiochem™,
CAS: 25535-16-4 Molecular Formula: C27H34I2N4 Molecular Weight (g/mol): 668.406 InChI Key: XJMOSONTPMZWPB-UHFFFAOYSA-M Synonym: propidium iodide,propidium diiodide,3,8-diamino-5-3-diethyl methyl ammonio propyl-6-phenylphenanthridin-5-ium iodide,unii-tp416o228t,3,8-diamino-5-3-diethylmethylammonio propyl-6-phenylphenanthridinium diiodide,3,8-diamino-5-3-diethylaminopropyl-6-phenylphenanthridinium iodide methiodide,phenanthridinium, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenyl-, diiodide PubChem CID: 104981 ChEBI: CHEBI:51240 IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide SMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]
| PubChem CID | 104981 |
|---|---|
| CAS | 25535-16-4 |
| Molecular Weight (g/mol) | 668.406 |
| ChEBI | CHEBI:51240 |
| SMILES | CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-] |
| Synonym | propidium iodide,propidium diiodide,3,8-diamino-5-3-diethyl methyl ammonio propyl-6-phenylphenanthridin-5-ium iodide,unii-tp416o228t,3,8-diamino-5-3-diethylmethylammonio propyl-6-phenylphenanthridinium diiodide,3,8-diamino-5-3-diethylaminopropyl-6-phenylphenanthridinium iodide methiodide,phenanthridinium, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenyl-, diiodide |
| IUPAC Name | 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide |
| InChI Key | XJMOSONTPMZWPB-UHFFFAOYSA-M |
| Molecular Formula | C27H34I2N4 |
1-Methyl-3-n-propylimidazolium iodide, 98%
CAS: 119171-18-5 Molecular Formula: C7H13IN2 Molecular Weight (g/mol): 252.10 MDL Number: MFCD08276385 InChI Key: IVCMUVGRRDWTDK-UHFFFAOYSA-M Synonym: 1-methyl-3-propylimidazolium iodide,1-propyl-3-methylimidazolium iodide,1-methyl-3-n-propylimidazolium iodide,1-methyl-3-propylimidazol-1-ium iodide,acmc-1c1fw,dsstox_cid_29063,dsstox_rid_83282,dsstox_gsid_49207,ksc491c6t,1-methyl-3-propylimidazoliumiodide PubChem CID: 12971008 IUPAC Name: 1-methyl-3-propylimidazol-1-ium;iodide SMILES: [I-].CCCN1C=C[N+](C)=C1
| PubChem CID | 12971008 |
|---|---|
| CAS | 119171-18-5 |
| Molecular Weight (g/mol) | 252.10 |
| MDL Number | MFCD08276385 |
| SMILES | [I-].CCCN1C=C[N+](C)=C1 |
| Synonym | 1-methyl-3-propylimidazolium iodide,1-propyl-3-methylimidazolium iodide,1-methyl-3-n-propylimidazolium iodide,1-methyl-3-propylimidazol-1-ium iodide,acmc-1c1fw,dsstox_cid_29063,dsstox_rid_83282,dsstox_gsid_49207,ksc491c6t,1-methyl-3-propylimidazoliumiodide |
| IUPAC Name | 1-methyl-3-propylimidazol-1-ium;iodide |
| InChI Key | IVCMUVGRRDWTDK-UHFFFAOYSA-M |
| Molecular Formula | C7H13IN2 |
6-Bromo-2H-1,4-benzoxazin-3(4H)-one, 95%
CAS: 24036-52-0 Molecular Formula: C8H6BrNO2 Molecular Weight (g/mol): 228.045 MDL Number: MFCD00461173 InChI Key: UQCFMEFQBSYDHY-UHFFFAOYSA-N Synonym: 6-bromo-2h-1,4-benzoxazin-3 4h-one,6-bromo-2h-benzo b 1,4 oxazin-3 4h-one,6-bromo-3-oxo-4h-benzo 1,4 oxazine,6-bromo-1,4-benzoxazin-3-one,6-bromo-3,4-dihydro-2h-1,4-benzoxazin-3-one,2h-1,4-benzoxazin-3 4h-one, 6-bromo,6-bromo-2,4-dihydro-1,4-benzoxazin-3-one,6-bromo-4h-benzo 1,4 oxazin-3-one,pubchem16746 PubChem CID: 16218142 IUPAC Name: 6-bromo-4H-1,4-benzoxazin-3-one SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)Br
| PubChem CID | 16218142 |
|---|---|
| CAS | 24036-52-0 |
| Molecular Weight (g/mol) | 228.045 |
| MDL Number | MFCD00461173 |
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)Br |
| Synonym | 6-bromo-2h-1,4-benzoxazin-3 4h-one,6-bromo-2h-benzo b 1,4 oxazin-3 4h-one,6-bromo-3-oxo-4h-benzo 1,4 oxazine,6-bromo-1,4-benzoxazin-3-one,6-bromo-3,4-dihydro-2h-1,4-benzoxazin-3-one,2h-1,4-benzoxazin-3 4h-one, 6-bromo,6-bromo-2,4-dihydro-1,4-benzoxazin-3-one,6-bromo-4h-benzo 1,4 oxazin-3-one,pubchem16746 |
| IUPAC Name | 6-bromo-4H-1,4-benzoxazin-3-one |
| InChI Key | UQCFMEFQBSYDHY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO2 |
Indole-3-carbinol, 97%
CAS: 700-06-1 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00005632 InChI Key: IVYPNXXAYMYVSP-UHFFFAOYSA-N Synonym: indole-3-carbinol,3-indolemethanol,1h-indol-3-yl methanol,indole-3-methanol,1h-indole-3-methanol,3-hydroxymethylindole,3-indolylcarbinol,indinol,3-indole methanol,indole 3 carbinol PubChem CID: 3712 ChEBI: CHEBI:24814 IUPAC Name: 1H-indol-3-ylmethanol SMILES: C1=CC=C2C(=C1)C(=CN2)CO
| PubChem CID | 3712 |
|---|---|
| CAS | 700-06-1 |
| Molecular Weight (g/mol) | 147.18 |
| ChEBI | CHEBI:24814 |
| MDL Number | MFCD00005632 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CO |
| Synonym | indole-3-carbinol,3-indolemethanol,1h-indol-3-yl methanol,indole-3-methanol,1h-indole-3-methanol,3-hydroxymethylindole,3-indolylcarbinol,indinol,3-indole methanol,indole 3 carbinol |
| IUPAC Name | 1H-indol-3-ylmethanol |
| InChI Key | IVYPNXXAYMYVSP-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
3,4-Dihydro-2H-pyran, 99%
CAS: 110-87-2 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00006558 InChI Key: BUDQDWGNQVEFAC-UHFFFAOYSA-N Synonym: dihydropyran,3,4-dihydropyran,2,3-dihydropyran,2h-3,4-dihydropyran,2,3-dihydro-4h-pyran,dihydro-2h-pyran,2h-pyran, dihydro,2h-pyran, 3,4-dihydro,5,6-dihydro-4h-pyran,dihydropyrane PubChem CID: 8080 IUPAC Name: 3,4-dihydro-2H-pyran SMILES: C1CC=COC1
| PubChem CID | 8080 |
|---|---|
| CAS | 110-87-2 |
| Molecular Weight (g/mol) | 84.12 |
| MDL Number | MFCD00006558 |
| SMILES | C1CC=COC1 |
| Synonym | dihydropyran,3,4-dihydropyran,2,3-dihydropyran,2h-3,4-dihydropyran,2,3-dihydro-4h-pyran,dihydro-2h-pyran,2h-pyran, dihydro,2h-pyran, 3,4-dihydro,5,6-dihydro-4h-pyran,dihydropyrane |
| IUPAC Name | 3,4-dihydro-2H-pyran |
| InChI Key | BUDQDWGNQVEFAC-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
Ethyl picolinate, 99%
CAS: 2524-52-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00006292 InChI Key: FQYYIPZPELSLDK-UHFFFAOYSA-N Synonym: ethyl picolinate,ethyl 2-picolinate,ethyl 2-pyridinecarboxylate,picolinic acid, ethyl ester,2-picolinic acid ethyl ester,2-pyridinecarboxylic acid, ethyl ester,2-ethoxycarbonyl pyridine,picolinic acid ethyl ester,2-pyridinecarboxylic acid ethyl ester,pyridine-2-carboxylic acid ethyl ester PubChem CID: 17307 IUPAC Name: ethyl pyridine-2-carboxylate SMILES: CCOC(=O)C1=CC=CC=N1
| PubChem CID | 17307 |
|---|---|
| CAS | 2524-52-9 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00006292 |
| SMILES | CCOC(=O)C1=CC=CC=N1 |
| Synonym | ethyl picolinate,ethyl 2-picolinate,ethyl 2-pyridinecarboxylate,picolinic acid, ethyl ester,2-picolinic acid ethyl ester,2-pyridinecarboxylic acid, ethyl ester,2-ethoxycarbonyl pyridine,picolinic acid ethyl ester,2-pyridinecarboxylic acid ethyl ester,pyridine-2-carboxylic acid ethyl ester |
| IUPAC Name | ethyl pyridine-2-carboxylate |
| InChI Key | FQYYIPZPELSLDK-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
N-(2-Chloroethyl)pyrrolidine hydrochloride, 98%
CAS: 7250-67-1 Molecular Formula: C6H12ClN·HCl Molecular Weight (g/mol): 170.08 MDL Number: MFCD00012718 InChI Key: FSNGFFWICFYWQC-UHFFFAOYSA-N Synonym: 1-2-chloroethyl pyrrolidine hydrochloride,n-2-chloroethyl pyrrolidine hydrochloride,2-chloroethylpyrrolidine hydrochloride,2-pyrrolidinoethyl chloride hydrochloride,pyrrolidine, 1-2-chloroethyl-, hydrochloride,unii-yyq1h343r5,pyrrolidinoethyl chloride, hydrochloride,1-2-chloroethyl pyrrolidine.hcl,1-2-chloroethyl pyrrolidine hcl,2-chloroethylpyrrolidinehydrochloride PubChem CID: 81668 IUPAC Name: 1-(2-chloroethyl)pyrrolidine;hydrochloride SMILES: C1CCN(C1)CCCl.Cl
| PubChem CID | 81668 |
|---|---|
| CAS | 7250-67-1 |
| Molecular Weight (g/mol) | 170.08 |
| MDL Number | MFCD00012718 |
| SMILES | C1CCN(C1)CCCl.Cl |
| Synonym | 1-2-chloroethyl pyrrolidine hydrochloride,n-2-chloroethyl pyrrolidine hydrochloride,2-chloroethylpyrrolidine hydrochloride,2-pyrrolidinoethyl chloride hydrochloride,pyrrolidine, 1-2-chloroethyl-, hydrochloride,unii-yyq1h343r5,pyrrolidinoethyl chloride, hydrochloride,1-2-chloroethyl pyrrolidine.hcl,1-2-chloroethyl pyrrolidine hcl,2-chloroethylpyrrolidinehydrochloride |
| IUPAC Name | 1-(2-chloroethyl)pyrrolidine;hydrochloride |
| InChI Key | FSNGFFWICFYWQC-UHFFFAOYSA-N |
| Molecular Formula | C6H12ClN·HCl |
1,2,4,5-Benzenetetracarboxylic anhydride, 99%
CAS: 89-32-7 Molecular Formula: C10H2O6 Molecular Weight (g/mol): 218.12 MDL Number: MFCD00005005 InChI Key: ANSXAPJVJOKRDJ-UHFFFAOYSA-N Synonym: pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride PubChem CID: 6966 IUPAC Name: furo[3,4-f][2]benzofuran-1,3,5,7-tetrone SMILES: O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O
| PubChem CID | 6966 |
|---|---|
| CAS | 89-32-7 |
| Molecular Weight (g/mol) | 218.12 |
| MDL Number | MFCD00005005 |
| SMILES | O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O |
| Synonym | pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride |
| IUPAC Name | furo[3,4-f][2]benzofuran-1,3,5,7-tetrone |
| InChI Key | ANSXAPJVJOKRDJ-UHFFFAOYSA-N |
| Molecular Formula | C10H2O6 |
2-Aminopyridine, 99+%
CAS: 504-29-0 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00006312 InChI Key: ICSNLGPSRYBMBD-UHFFFAOYSA-N Synonym: 2-aminopyridine,2-pyridinamine,2-pyridylamine,aminopyridine,pyridinamine,o-aminopyridine,2-aminopyridin,2-aminopryidine,amino-2 pyridine,pyridine, 2-amino PubChem CID: 10439 IUPAC Name: pyridin-2-amine SMILES: C1=CC=NC(=C1)N
| PubChem CID | 10439 |
|---|---|
| CAS | 504-29-0 |
| Molecular Weight (g/mol) | 94.12 |
| MDL Number | MFCD00006312 |
| SMILES | C1=CC=NC(=C1)N |
| Synonym | 2-aminopyridine,2-pyridinamine,2-pyridylamine,aminopyridine,pyridinamine,o-aminopyridine,2-aminopyridin,2-aminopryidine,amino-2 pyridine,pyridine, 2-amino |
| IUPAC Name | pyridin-2-amine |
| InChI Key | ICSNLGPSRYBMBD-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |