Organoheterocyclic compounds
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Thermo Scientific Chemicals 4,6-O-Ethylidene-D-glucopyranose, 90%
CAS: 13224-99-2 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00006820 InChI Key: VZPBLPQAMPVTFO-UHFFFAOYNA-N Synonym: 4,6-o-ethylidene-a-d-glucose PubChem CID: 21581900 IUPAC Name: (2R,4aR,6S,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol SMILES: CC1OCC2OC(O)C(O)C(O)C2O1
| PubChem CID | 21581900 |
|---|---|
| CAS | 13224-99-2 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00006820 |
| SMILES | CC1OCC2OC(O)C(O)C(O)C2O1 |
| Synonym | 4,6-o-ethylidene-a-d-glucose |
| IUPAC Name | (2R,4aR,6S,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol |
| InChI Key | VZPBLPQAMPVTFO-UHFFFAOYNA-N |
| Molecular Formula | C8H14O6 |
3-Oxabicyclo[3.1.0]hexane-2,4-dione, 98%
CAS: 5617-74-3 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00126929 InChI Key: ZRMYHUFDVLRYPN-UHFFFAOYSA-N Synonym: 3-oxabicyclo 3.1.0 hexane-2,4-dione,1,2-cyclopropanedicarboxylic anhydride,oxabicyclohexanedione,pubchem18320,cyclopropane-1,2-dicarboxylic anhydride,2,4-dioxo-3-oxabicyclo 3.1.0 hexane,3-oxa-bicyclo 3.1.0 hexane-2,4-dione,3-oxabicyclo 3.1.0-hexane-2,4-dione,3-oxa-bicyclo 3.1.0-hexane-2,4-dione PubChem CID: 2734721 IUPAC Name: 3-oxabicyclo[3.1.0]hexane-2,4-dione SMILES: C1C2C1C(=O)OC2=O
| PubChem CID | 2734721 |
|---|---|
| CAS | 5617-74-3 |
| Molecular Weight (g/mol) | 112.09 |
| MDL Number | MFCD00126929 |
| SMILES | C1C2C1C(=O)OC2=O |
| Synonym | 3-oxabicyclo 3.1.0 hexane-2,4-dione,1,2-cyclopropanedicarboxylic anhydride,oxabicyclohexanedione,pubchem18320,cyclopropane-1,2-dicarboxylic anhydride,2,4-dioxo-3-oxabicyclo 3.1.0 hexane,3-oxa-bicyclo 3.1.0 hexane-2,4-dione,3-oxabicyclo 3.1.0-hexane-2,4-dione,3-oxa-bicyclo 3.1.0-hexane-2,4-dione |
| IUPAC Name | 3-oxabicyclo[3.1.0]hexane-2,4-dione |
| InChI Key | ZRMYHUFDVLRYPN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O3 |
DL-Pantolactone, 97%
CAS: 79-50-5 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00064333 InChI Key: SERHXTVXHNVDKA-UHFFFAOYSA-N Synonym: pantolactone,dl-pantolactone,3-hydroxy-4,4-dimethyldihydrofuran-2 3h-one,pantoyl lactone,pantoic lactone,dl-pantoyl lactone,d---pantolactone,2 3h-furanone, dihydro-3-hydroxy-4,4-dimethyl,dihydro-3-hydroxy-4,4-dimethyl-2 3h-furanone,pantolyl lactone PubChem CID: 989 IUPAC Name: 3-hydroxy-4,4-dimethyloxolan-2-one SMILES: CC1(COC(=O)C1O)C
| PubChem CID | 989 |
|---|---|
| CAS | 79-50-5 |
| Molecular Weight (g/mol) | 130.14 |
| MDL Number | MFCD00064333 |
| SMILES | CC1(COC(=O)C1O)C |
| Synonym | pantolactone,dl-pantolactone,3-hydroxy-4,4-dimethyldihydrofuran-2 3h-one,pantoyl lactone,pantoic lactone,dl-pantoyl lactone,d---pantolactone,2 3h-furanone, dihydro-3-hydroxy-4,4-dimethyl,dihydro-3-hydroxy-4,4-dimethyl-2 3h-furanone,pantolyl lactone |
| IUPAC Name | 3-hydroxy-4,4-dimethyloxolan-2-one |
| InChI Key | SERHXTVXHNVDKA-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
delta-Hexanolactone, 98%
CAS: 823-22-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00083574 InChI Key: RZTOWFMDBDPERY-UHFFFAOYSA-N Synonym: delta-hexalactone,delta-hexanolactone,delta-caprolactone,5-methyl-delta-valerolactone,5-hydroxyhexanoic acid lactone,tetrahydro-6-methyl-2h-pyran-2-one,2h-pyran-2-one, tetrahydro-6-methyl,.delta.-caprolactone,6-methylvalerolactone,hexanolactone PubChem CID: 13204 IUPAC Name: 6-methyloxan-2-one SMILES: CC1CCCC(=O)O1
| PubChem CID | 13204 |
|---|---|
| CAS | 823-22-3 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00083574 |
| SMILES | CC1CCCC(=O)O1 |
| Synonym | delta-hexalactone,delta-hexanolactone,delta-caprolactone,5-methyl-delta-valerolactone,5-hydroxyhexanoic acid lactone,tetrahydro-6-methyl-2h-pyran-2-one,2h-pyran-2-one, tetrahydro-6-methyl,.delta.-caprolactone,6-methylvalerolactone,hexanolactone |
| IUPAC Name | 6-methyloxan-2-one |
| InChI Key | RZTOWFMDBDPERY-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
alpha-Methylene-gamma-butyrolactone, 95%, stabilized, Thermo Scientific Chemicals
CAS: 547-65-9 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.1 MDL Number: MFCD00005407 InChI Key: GSLDEZOOOSBFGP-UHFFFAOYSA-N Synonym: 2-methylenebutyrolactone,alpha-methylene-gamma-butyrolactone,3-methylenedihydro-2 3h-furanone,tulipalin a,tulipane,2 3h-furanone, dihydro-3-methylene,dihydro-3-methylene-2 3h-furanone,alpha-methylene butyrolactone,3-methylenedihydrofuran-2 3h-one,alpha-methylene gamma-butyrolactone PubChem CID: 68352 ChEBI: CHEBI:104120 IUPAC Name: 3-methylideneoxolan-2-one SMILES: C=C1CCOC1=O
| PubChem CID | 68352 |
|---|---|
| CAS | 547-65-9 |
| Molecular Weight (g/mol) | 98.1 |
| ChEBI | CHEBI:104120 |
| MDL Number | MFCD00005407 |
| SMILES | C=C1CCOC1=O |
| Synonym | 2-methylenebutyrolactone,alpha-methylene-gamma-butyrolactone,3-methylenedihydro-2 3h-furanone,tulipalin a,tulipane,2 3h-furanone, dihydro-3-methylene,dihydro-3-methylene-2 3h-furanone,alpha-methylene butyrolactone,3-methylenedihydrofuran-2 3h-one,alpha-methylene gamma-butyrolactone |
| IUPAC Name | 3-methylideneoxolan-2-one |
| InChI Key | GSLDEZOOOSBFGP-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
gamma-Hexanolactone, 98%
CAS: 695-06-7 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00005401 InChI Key: JBFHTYHTHYHCDJ-UHFFFAOYNA-N Synonym: gamma-caprolactone,gamma-hexalactone,4-hexanolide,gamma-hexanolactone,6-caprolactone,tonkalide,toukalide,2 3h-furanone, 5-ethyldihydro,4-ethyl-4-butanolide,5-ethyldihydrofuran-2 3h-one PubChem CID: 12756 ChEBI: CHEBI:85235 IUPAC Name: 5-ethyloxolan-2-one SMILES: CCC1CCC(=O)O1
| PubChem CID | 12756 |
|---|---|
| CAS | 695-06-7 |
| Molecular Weight (g/mol) | 114.14 |
| ChEBI | CHEBI:85235 |
| MDL Number | MFCD00005401 |
| SMILES | CCC1CCC(=O)O1 |
| Synonym | gamma-caprolactone,gamma-hexalactone,4-hexanolide,gamma-hexanolactone,6-caprolactone,tonkalide,toukalide,2 3h-furanone, 5-ethyldihydro,4-ethyl-4-butanolide,5-ethyldihydrofuran-2 3h-one |
| IUPAC Name | 5-ethyloxolan-2-one |
| InChI Key | JBFHTYHTHYHCDJ-UHFFFAOYNA-N |
| Molecular Formula | C6H10O2 |
L(+)-Gulonic acid gamma-lactone, 95+%
CAS: 1128-23-0 Molecular Formula: C6H10O6 Molecular Weight (g/mol): 178.14 InChI Key: SXZYCXMUPBBULW-SKNVOMKLSA-N Synonym: l-gulonolactone,l-gulono-1,4-lactone,l-gulonic acid gamma-lactone,3s,4r,5r-5-s-1,2-dihydroxyethyl-3,4-dihydroxydihydrofuran-2 3h-one,l-gulono-gamma-lactone,gamma-gulonolactone,l-gulonic gamma-lactone,l-+-gulono-1,4-lactone,l +-gulonic acid gamma-lactone,l-+-gulonic acid gamma-lactone PubChem CID: 439373 ChEBI: CHEBI:17587 IUPAC Name: (3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one SMILES: C(C(C1C(C(C(=O)O1)O)O)O)O
| PubChem CID | 439373 |
|---|---|
| CAS | 1128-23-0 |
| Molecular Weight (g/mol) | 178.14 |
| ChEBI | CHEBI:17587 |
| SMILES | C(C(C1C(C(C(=O)O1)O)O)O)O |
| Synonym | l-gulonolactone,l-gulono-1,4-lactone,l-gulonic acid gamma-lactone,3s,4r,5r-5-s-1,2-dihydroxyethyl-3,4-dihydroxydihydrofuran-2 3h-one,l-gulono-gamma-lactone,gamma-gulonolactone,l-gulonic gamma-lactone,l-+-gulono-1,4-lactone,l +-gulonic acid gamma-lactone,l-+-gulonic acid gamma-lactone |
| IUPAC Name | (3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one |
| InChI Key | SXZYCXMUPBBULW-SKNVOMKLSA-N |
| Molecular Formula | C6H10O6 |
Thermo Scientific Chemicals Pomalidomide
CAS: 19171-19-8 Molecular Formula: C13H11N3O4 Molecular Weight (g/mol): 273.25 MDL Number: MFCD12756407 InChI Key: UVSMNLNDYGZFPF-UHFFFAOYNA-N IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione SMILES: NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
| CAS | 19171-19-8 |
|---|---|
| Molecular Weight (g/mol) | 273.25 |
| MDL Number | MFCD12756407 |
| SMILES | NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O |
| IUPAC Name | 4-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione |
| InChI Key | UVSMNLNDYGZFPF-UHFFFAOYNA-N |
| Molecular Formula | C13H11N3O4 |
6-Azabicyclo[3.2.0]heptan-7-one, 98%, Thermo Scientific™
CAS: 22031-52-3 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD01863277 InChI Key: AXDBIGNYXNSBHV-CRCLSJGQSA-N Synonym: 6-azabicyclo 3.2.0 heptan-7-one,6-azabicyclo 3,2,0 heptan-7-one,6-azabicyclo 3.2.0 heptane-7-one,6-azabicyclo 3.2.0 heptan-7-one # PubChem CID: 549320 IUPAC Name: 6-azabicyclo[3.2.0]heptan-7-one SMILES: O=C1N[C@@H]2CCC[C@H]12
| PubChem CID | 549320 |
|---|---|
| CAS | 22031-52-3 |
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD01863277 |
| SMILES | O=C1N[C@@H]2CCC[C@H]12 |
| Synonym | 6-azabicyclo 3.2.0 heptan-7-one,6-azabicyclo 3,2,0 heptan-7-one,6-azabicyclo 3.2.0 heptane-7-one,6-azabicyclo 3.2.0 heptan-7-one # |
| IUPAC Name | 6-azabicyclo[3.2.0]heptan-7-one |
| InChI Key | AXDBIGNYXNSBHV-CRCLSJGQSA-N |
| Molecular Formula | C6H9NO |
Brucine sulfate hydrate, 98% (dry wt.), water <13%
CAS: 652154-10-4 Molecular Formula: C46H54N4O12S Molecular Weight (g/mol): 887.01 MDL Number: MFCD00013472 InChI Key: HCMSIGALSOEZRW-MDQLRNFDSA-N Synonym: brucine sulfate salt PubChem CID: 118797651 IUPAC Name: 10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;sulfuric acid;hydrate SMILES: OS(O)(=O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1
| PubChem CID | 118797651 |
|---|---|
| CAS | 652154-10-4 |
| Molecular Weight (g/mol) | 887.01 |
| MDL Number | MFCD00013472 |
| SMILES | OS(O)(=O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C([C@@]35[H])[C@]1(CCN2C4)C1=C6C=C(OC)C(OC)=C1 |
| Synonym | brucine sulfate salt |
| IUPAC Name | 10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;sulfuric acid;hydrate |
| InChI Key | HCMSIGALSOEZRW-MDQLRNFDSA-N |
| Molecular Formula | C46H54N4O12S |
Thermo Scientific Chemicals Sulbactam
CAS: 68373-14-8 Molecular Formula: C8H11NO5S Molecular Weight (g/mol): 233.24 InChI Key: FKENQMMABCRJMK-RITPCOANSA-N Synonym: sulbactam,sulbactam acid,penicillanic acid sulfone,sulbactamum,betamaze,2s,5r-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid 4,4-dioxide,penicillanic acid 1,1-dioxide,unii-s4tf6i2330,penicillanic acid dioxide,chembl403 PubChem CID: 130313 ChEBI: CHEBI:9321 IUPAC Name: (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid SMILES: CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
| PubChem CID | 130313 |
|---|---|
| CAS | 68373-14-8 |
| Molecular Weight (g/mol) | 233.24 |
| ChEBI | CHEBI:9321 |
| SMILES | CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |
| Synonym | sulbactam,sulbactam acid,penicillanic acid sulfone,sulbactamum,betamaze,2s,5r-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid 4,4-dioxide,penicillanic acid 1,1-dioxide,unii-s4tf6i2330,penicillanic acid dioxide,chembl403 |
| IUPAC Name | (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| InChI Key | FKENQMMABCRJMK-RITPCOANSA-N |
| Molecular Formula | C8H11NO5S |
epsilon-Caprolactam, 99%
CAS: 105-60-2 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00006936 InChI Key: JBKVHLHDHHXQEQ-UHFFFAOYSA-N Synonym: epsilon-caprolactam,caprolactam,6-caprolactam,2-oxohexamethylenimine,aminocaproic lactam,2-azacycloheptanone,hexahydro-2h-azepin-2-one,2h-azepin-2-one, hexahydro,6-hexanelactam,hexanolactam PubChem CID: 7768 ChEBI: CHEBI:28579 IUPAC Name: azepan-2-one SMILES: C1CCC(=O)NCC1
| PubChem CID | 7768 |
|---|---|
| CAS | 105-60-2 |
| Molecular Weight (g/mol) | 113.16 |
| ChEBI | CHEBI:28579 |
| MDL Number | MFCD00006936 |
| SMILES | C1CCC(=O)NCC1 |
| Synonym | epsilon-caprolactam,caprolactam,6-caprolactam,2-oxohexamethylenimine,aminocaproic lactam,2-azacycloheptanone,hexahydro-2h-azepin-2-one,2h-azepin-2-one, hexahydro,6-hexanelactam,hexanolactam |
| IUPAC Name | azepan-2-one |
| InChI Key | JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
Brucine
CAS: 357-57-3 Molecular Formula: C23H26N2O4 Molecular Weight (g/mol): 394.471 MDL Number: MFCD00005942 InChI Key: RRKTZKIUPZVBMF-VLTSECPOSA-N Synonym: brucine, anhydrous,brucine:strychnidin-10-one,2,3-dimethoxy PubChem CID: 51413923 IUPAC Name: (4aR,5aS,8aR,13aS,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC
| PubChem CID | 51413923 |
|---|---|
| CAS | 357-57-3 |
| Molecular Weight (g/mol) | 394.471 |
| MDL Number | MFCD00005942 |
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC |
| Synonym | brucine, anhydrous,brucine:strychnidin-10-one,2,3-dimethoxy |
| IUPAC Name | (4aR,5aS,8aR,13aS,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one |
| InChI Key | RRKTZKIUPZVBMF-VLTSECPOSA-N |
| Molecular Formula | C23H26N2O4 |
7-Aminocephalosporanic acid, 95-102%
CAS: 957-68-6 Molecular Formula: C10H12N2O5S Molecular Weight (g/mol): 272.27 MDL Number: MFCD00005177 InChI Key: HSHGZXNAXBPPDL-HZGVNTEJSA-N Synonym: 7-aminocephalosporanic acid,7-aca,7-aminocephalosporinic acid,7beta-aminocephalosporanic acid,7-acs,unii-9xi67897rg,7r-7-aminocephalosporanic acid,7r-7-aminocephalosporanate,cephalosporanic acid, 7-amino,6r,7r-3-acetoxymethyl-7-amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid PubChem CID: 441328 ChEBI: CHEBI:2255 IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O
| PubChem CID | 441328 |
|---|---|
| CAS | 957-68-6 |
| Molecular Weight (g/mol) | 272.27 |
| ChEBI | CHEBI:2255 |
| MDL Number | MFCD00005177 |
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O |
| Synonym | 7-aminocephalosporanic acid,7-aca,7-aminocephalosporinic acid,7beta-aminocephalosporanic acid,7-acs,unii-9xi67897rg,7r-7-aminocephalosporanic acid,7r-7-aminocephalosporanate,cephalosporanic acid, 7-amino,6r,7r-3-acetoxymethyl-7-amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid |
| IUPAC Name | (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI Key | HSHGZXNAXBPPDL-HZGVNTEJSA-N |
| Molecular Formula | C10H12N2O5S |
Alpha Lipoic Acid Dietary Supplement, USP, 99-101%, Spectrum™ Chemical
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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 |