Organoheterocyclic compounds
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s-Trioxane, 99+%
CAS: 110-88-3 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.08 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) | 90.08 |
| 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 |
o-Cresolphthalein
CAS: 596-27-0 Molecular Formula: C22H18O4 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00005912 InChI Key: CPBJMKMKNCRKQB-UHFFFAOYSA-N Synonym: o-cresolphthalein,cresolphthalein,3,3'-dimethylphenolphthalein,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-3-methylphenyl,3',3-dimethylphenolphthalein,o-cresolphalein,3,3-bis 4-hydroxy-3-methylphenyl isobenzofuran-1 3h-one,unii-xou2d9049g,phenolphthalein, 3',3-dimethyl,3,3-bis 4-hydroxy-m-tolyl phthalide PubChem CID: 68995 SMILES: CC1=CC(=CC=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C(C)=C1
| PubChem CID | 68995 |
|---|---|
| CAS | 596-27-0 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00005912 |
| SMILES | CC1=CC(=CC=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C(C)=C1 |
| Synonym | o-cresolphthalein,cresolphthalein,3,3'-dimethylphenolphthalein,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-3-methylphenyl,3',3-dimethylphenolphthalein,o-cresolphalein,3,3-bis 4-hydroxy-3-methylphenyl isobenzofuran-1 3h-one,unii-xou2d9049g,phenolphthalein, 3',3-dimethyl,3,3-bis 4-hydroxy-m-tolyl phthalide |
| InChI Key | CPBJMKMKNCRKQB-UHFFFAOYSA-N |
| Molecular Formula | C22H18O4 |
2-Quinoxalinecarboxylic acid, 97%, Thermo Scientific™
CAS: 879-65-2 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00012334 InChI Key: UPUZGXILYFKSGE-UHFFFAOYSA-N Synonym: 2-quinoxalinecarboxylic acid,2-quinoxalinecarboxylicacid,unii-m5oe8sn42m,2-carboxyquinoxaline,m5oe8sn42m,2-qca,pubchem9776,carbadox metabolite,acmc-1bl7g,quinoxaline carboxylic acid PubChem CID: 96695 IUPAC Name: quinoxaline-2-carboxylic acid SMILES: OC(=O)C1=CN=C2C=CC=CC2=N1
| PubChem CID | 96695 |
|---|---|
| CAS | 879-65-2 |
| Molecular Weight (g/mol) | 174.16 |
| MDL Number | MFCD00012334 |
| SMILES | OC(=O)C1=CN=C2C=CC=CC2=N1 |
| Synonym | 2-quinoxalinecarboxylic acid,2-quinoxalinecarboxylicacid,unii-m5oe8sn42m,2-carboxyquinoxaline,m5oe8sn42m,2-qca,pubchem9776,carbadox metabolite,acmc-1bl7g,quinoxaline carboxylic acid |
| IUPAC Name | quinoxaline-2-carboxylic acid |
| InChI Key | UPUZGXILYFKSGE-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
Papaverine Hydrochloride 99.0+%, TCI America™
CAS: 61-25-6 Molecular Formula: C20H22ClNO4 Molecular Weight (g/mol): 375.849 MDL Number: MFCD00012745 InChI Key: UOTMYNBWXDUBNX-UHFFFAOYSA-N Synonym: papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan PubChem CID: 6084 IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
| PubChem CID | 6084 |
|---|---|
| CAS | 61-25-6 |
| Molecular Weight (g/mol) | 375.849 |
| MDL Number | MFCD00012745 |
| SMILES | COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl |
| Synonym | papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan |
| IUPAC Name | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride |
| InChI Key | UOTMYNBWXDUBNX-UHFFFAOYSA-N |
| Molecular Formula | C20H22ClNO4 |
Methyl nicotinate, 99%
CAS: 93-60-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00006388 InChI Key: YNBADRVTZLEFNH-UHFFFAOYSA-N Synonym: methyl nicotinate,nikomet,methylnicotinate,nicotinic acid methyl ester,nicometh,methyl 3-pyridinecarboxylate,methyl-nicotinate,3-pyridinecarboxylic acid, methyl ester,heat spray,nicotinic acid, methyl ester PubChem CID: 7151 IUPAC Name: methyl pyridine-3-carboxylate SMILES: COC(=O)C1=CN=CC=C1
| PubChem CID | 7151 |
|---|---|
| CAS | 93-60-7 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00006388 |
| SMILES | COC(=O)C1=CN=CC=C1 |
| Synonym | methyl nicotinate,nikomet,methylnicotinate,nicotinic acid methyl ester,nicometh,methyl 3-pyridinecarboxylate,methyl-nicotinate,3-pyridinecarboxylic acid, methyl ester,heat spray,nicotinic acid, methyl ester |
| IUPAC Name | methyl pyridine-3-carboxylate |
| InChI Key | YNBADRVTZLEFNH-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
| Boiling Point | 77°C |
|---|---|
| Molecular Weight (g/mol) | 70.05 |
| ChEBI | CHEBI:33193 |
| Color | Cream to Orange |
| Physical Form | Crystalline Powder |
| Chemical Name or Material | Tetrazole |
| SMILES | C1=NNN=N1 |
| InChI Key | KJUGUADJHNHALS-UHFFFAOYSA-N |
| Density | 0.8000g/mL |
| PubChem CID | 67519 |
| CAS | 75-05-8 |
| Health Hazard 3 | GHS P Statement IF ON SKIN: Wash with plenty of soap and water. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Wea |
| Health Hazard 2 | GHS H Statement Highly flammable liquid and vapour. Causes serious eye irritation. Harmful if swallowed. Harmful if inhaled. Harmful in contact with skin. |
| Packaging | AcroSeal™ Glass Bottle |
| Flash Point | 5°C |
| Health Hazard 1 | GHS Signal Word: Danger |
| IUPAC Name | 2H-tetrazole |
| Molecular Formula | CH2N4 |
| EINECS Number | 206-023-4 |
| Formula Weight | 70.05 |
| Specific Gravity | 0.8 |
3-Amino-1,2,4-triazole 98.0+%, TCI America™
CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1
| PubChem CID | 1639 |
|---|---|
| CAS | 61-82-5 |
| Molecular Weight (g/mol) | 84.08 |
| ChEBI | CHEBI:40036 |
| MDL Number | MFCD00005230,MFCD00053362 |
| SMILES | NC1=NC=NN1 |
| Synonym | 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox |
| IUPAC Name | 1H-1,2,4-triazol-5-amine |
| InChI Key | KLSJWNVTNUYHDU-UHFFFAOYSA-N |
| Molecular Formula | C2H4N4 |
Carbazole, 96%
CAS: 86-74-8 Molecular Formula: C12H9N Molecular Weight (g/mol): 167.21 MDL Number: MFCD00004960 InChI Key: UJOBWOGCFQCDNV-UHFFFAOYSA-N Synonym: carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn PubChem CID: 6854 ChEBI: CHEBI:27543 IUPAC Name: 9H-carbazole SMILES: N1C2=C(C=CC=C2)C2=C1C=CC=C2
| PubChem CID | 6854 |
|---|---|
| CAS | 86-74-8 |
| Molecular Weight (g/mol) | 167.21 |
| ChEBI | CHEBI:27543 |
| MDL Number | MFCD00004960 |
| SMILES | N1C2=C(C=CC=C2)C2=C1C=CC=C2 |
| Synonym | carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn |
| IUPAC Name | 9H-carbazole |
| InChI Key | UJOBWOGCFQCDNV-UHFFFAOYSA-N |
| Molecular Formula | C12H9N |
8-Hydroxyquinoline sulfate monohydrate, 98%
CAS: 207386-91-2 Molecular Formula: C18H18N2O7S Molecular Weight (g/mol): 406.41 MDL Number: MFCD00149610 InChI Key: BNCXJZDIJIVJJO-UHFFFAOYSA-N Synonym: 8-quinolinol hemisulfate,8-quinolinol hemisulfate hemihydrate,8-hydroxyquinoline hemisulfate salt hemihydrate,quinolin-8-ol; sulfuric acid; hydrate,quinolin-8-ol sulfate hydrate 2:1:1,8-hydroxyquinoline sulfate,8-quinolinol sulfate 2:1 monohydrate,8-quinolinol, sulfate, hydrate 2:1:1,8-quinolinol hemisulfate salt hemihydrate, pestanal r , analytical standard
| CAS | 207386-91-2 |
|---|---|
| Molecular Weight (g/mol) | 406.41 |
| MDL Number | MFCD00149610 |
| Synonym | 8-quinolinol hemisulfate,8-quinolinol hemisulfate hemihydrate,8-hydroxyquinoline hemisulfate salt hemihydrate,quinolin-8-ol; sulfuric acid; hydrate,quinolin-8-ol sulfate hydrate 2:1:1,8-hydroxyquinoline sulfate,8-quinolinol sulfate 2:1 monohydrate,8-quinolinol, sulfate, hydrate 2:1:1,8-quinolinol hemisulfate salt hemihydrate, pestanal r , analytical standard |
| InChI Key | BNCXJZDIJIVJJO-UHFFFAOYSA-N |
| Molecular Formula | C18H18N2O7S |
(+)-Camptothecin, 98%
CAS: 3-4-7689 Molecular Formula: C20H16N2O4 Molecular Weight (g/mol): 348.35 MDL Number: MFCD00081076 InChI Key: VSJKWCGYPAHWDS-FQEVSTJZSA-N Synonym: camptothecin,camptothecine,s-+-camptothecin,campathecin,+-camptothecine,d-camptothecin,20 s-camptothecine,+-camptothecin,21,22-secocamptothecin-21-oic acid lactone,s-camptothecin PubChem CID: 24360 ChEBI: CHEBI:27656 SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
| PubChem CID | 24360 |
|---|---|
| CAS | 3-4-7689 |
| Molecular Weight (g/mol) | 348.35 |
| ChEBI | CHEBI:27656 |
| MDL Number | MFCD00081076 |
| SMILES | CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O |
| Synonym | camptothecin,camptothecine,s-+-camptothecin,campathecin,+-camptothecine,d-camptothecin,20 s-camptothecine,+-camptothecin,21,22-secocamptothecin-21-oic acid lactone,s-camptothecin |
| InChI Key | VSJKWCGYPAHWDS-FQEVSTJZSA-N |
| Molecular Formula | C20H16N2O4 |
Nicotine ditartrate dihydrate, 98%
CAS: 6-3-6019 Molecular Weight (g/mol): 498.44 MDL Number: MFCD00150899 InChI Key: LDMPZNTVIGIREC-HYRPJEHINA-N Synonym: (-)-Nicotine di-(+)-hydrogen tartrate dihydrate IUPAC Name: N-{3-[(2Z)-5-chloro-2,3-dihydro-1,3-benzoxazol-2-ylidene]-4-oxocyclohexa-1,5-dien-1-yl}-2-methylpropanamide SMILES: O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1
| CAS | 6-3-6019 |
|---|---|
| Molecular Weight (g/mol) | 498.44 |
| MDL Number | MFCD00150899 |
| SMILES | O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1 |
| Synonym | (-)-Nicotine di-(+)-hydrogen tartrate dihydrate |
| IUPAC Name | N-{3-[(2Z)-5-chloro-2,3-dihydro-1,3-benzoxazol-2-ylidene]-4-oxocyclohexa-1,5-dien-1-yl}-2-methylpropanamide |
| InChI Key | LDMPZNTVIGIREC-HYRPJEHINA-N |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide, 98%
CAS: 54016-70-5 Molecular Formula: C8H14BrNOS Molecular Weight (g/mol): 252.17 MDL Number: MFCD00040549 InChI Key: BDQRQMLWZJQQKS-UHFFFAOYSA-M Synonym: 3-ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazoliumbromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazol-3-ium bromide,thiazolium, 3-ethyl-5-2-hydroxyethyl-4-methyl-, bromide,2-3-ethyl-4-methyl-thiazol-3-ium-5-yl ethanol bromide,3-ethyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium bromide,pubchem15236,acmc-1area,ksc272q3h,3ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide PubChem CID: 9964923 IUPAC Name: 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide SMILES: CC[N+]1=CSC(=C1C)CCO.[Br-]
| PubChem CID | 9964923 |
|---|---|
| CAS | 54016-70-5 |
| Molecular Weight (g/mol) | 252.17 |
| MDL Number | MFCD00040549 |
| SMILES | CC[N+]1=CSC(=C1C)CCO.[Br-] |
| Synonym | 3-ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazoliumbromide,3-ethyl-5-2-hydroxyethyl-4-methylthiazol-3-ium bromide,thiazolium, 3-ethyl-5-2-hydroxyethyl-4-methyl-, bromide,2-3-ethyl-4-methyl-thiazol-3-ium-5-yl ethanol bromide,3-ethyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium bromide,pubchem15236,acmc-1area,ksc272q3h,3ethyl-5-2-hydroxyethyl-4-methylthiazolium bromide |
| IUPAC Name | 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide |
| InChI Key | BDQRQMLWZJQQKS-UHFFFAOYSA-M |
| Molecular Formula | C8H14BrNOS |
Guanine, 99+%
CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 IUPAC Name: 2-amino-3,7-dihydropurin-6-one SMILES: NC1=NC(=O)C2=C(N1)N=CN2
| PubChem CID | 764 |
|---|---|
| CAS | 73-40-5 |
| Molecular Weight (g/mol) | 151.13 |
| ChEBI | CHEBI:16235 |
| MDL Number | MFCD00071533 |
| SMILES | NC1=NC(=O)C2=C(N1)N=CN2 |
| Synonym | guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence |
| IUPAC Name | 2-amino-3,7-dihydropurin-6-one |
| InChI Key | UYTPUPDQBNUYGX-UHFFFAOYSA-N |
| Molecular Formula | C5H5N5O |
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-p,p'-disulfonic acid, disodium salt hydrate, 97+%
CAS: 1264198-47-1 Molecular Formula: C20H12N4Na2O6S2 Molecular Weight (g/mol): 514.44 MDL Number: MFCD00717621 InChI Key: DDIHLFCSEHAOJZ-UHFFFAOYSA-L Synonym: 5,6-diphenyl-3-2-pyridyl-1,2,4-triazine-4,4'-disulfonic acid disodium salt hydrate,disodium ferrozine 2-hydrate,3-2-pyridyl-5,6-bis 4-sulfophenyl-1,2,4-triazine disodium salt hydrate PubChem CID: 91871971 IUPAC Name: disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate;hydrate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)C1=C(N=C(N=N1)C1=CC=CC=N1)C1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 91871971 |
|---|---|
| CAS | 1264198-47-1 |
| Molecular Weight (g/mol) | 514.44 |
| MDL Number | MFCD00717621 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)C1=C(N=C(N=N1)C1=CC=CC=N1)C1=CC=C(C=C1)S([O-])(=O)=O |
| Synonym | 5,6-diphenyl-3-2-pyridyl-1,2,4-triazine-4,4'-disulfonic acid disodium salt hydrate,disodium ferrozine 2-hydrate,3-2-pyridyl-5,6-bis 4-sulfophenyl-1,2,4-triazine disodium salt hydrate |
| IUPAC Name | disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate;hydrate |
| InChI Key | DDIHLFCSEHAOJZ-UHFFFAOYSA-L |
| Molecular Formula | C20H12N4Na2O6S2 |
Ketoconazole, 2mg/mL in methanol, sterile-filtered, Thermo Scientific™
CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 534.452 MDL Number: MFCD00058579 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
| PubChem CID | 76973198 |
|---|---|
| CAS | 65277-42-1 |
| Molecular Weight (g/mol) | 534.452 |
| MDL Number | MFCD00058579 |
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
| Synonym | ketoconazole |
| IUPAC Name | 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone |
| InChI Key | XMAYWYJOQHXEEK-SIULDFEJSA-N |
| Molecular Formula | C26H28Cl2N4O4 |