Organooxygen compounds
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4-Chlorobutyrophenone, 95%, Thermo Scientific™
CAS: 939-52-6 Molecular Formula: C10H11ClO Molecular Weight (g/mol): 182.65 MDL Number: MFCD00001005 InChI Key: GHEFQKHLHFXSBR-UHFFFAOYSA-N Synonym: 4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone PubChem CID: 253533 IUPAC Name: 4-chloro-1-phenylbutan-1-one SMILES: ClCCCC(=O)C1=CC=CC=C1
| PubChem CID | 253533 |
|---|---|
| CAS | 939-52-6 |
| Molecular Weight (g/mol) | 182.65 |
| MDL Number | MFCD00001005 |
| SMILES | ClCCCC(=O)C1=CC=CC=C1 |
| Synonym | 4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone |
| IUPAC Name | 4-chloro-1-phenylbutan-1-one |
| InChI Key | GHEFQKHLHFXSBR-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO |
| CAS | 2040-05-3 |
|---|---|
| MDL Number | MFCD00016339 |
3-Pyridyloxyacetic acid, 98%
CAS: 86649-57-2 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD04039772 InChI Key: MBEPWLCDXKKANL-UHFFFAOYSA-N Synonym: pyridin-3-yloxy-acetic acid,2-pyridin-3-yloxy acetic acid,3-pyridyloxyacetic acid,pyridin-3-yloxy acetic acid,2-3-pyridyloxy acetic acid,pyridin-3-yloxy-aceticacid,2-3-pyridinyloxy acetic acid,2-pyridin-3-yloxy aceticacid,acetic acid, 3-pyridinyloxy,2-pyridine-3-yl oxyacetic acid PubChem CID: 3159630 IUPAC Name: 2-pyridin-3-yloxyacetic acid SMILES: OC(=O)COC1=CN=CC=C1
| PubChem CID | 3159630 |
|---|---|
| CAS | 86649-57-2 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD04039772 |
| SMILES | OC(=O)COC1=CN=CC=C1 |
| Synonym | pyridin-3-yloxy-acetic acid,2-pyridin-3-yloxy acetic acid,3-pyridyloxyacetic acid,pyridin-3-yloxy acetic acid,2-3-pyridyloxy acetic acid,pyridin-3-yloxy-aceticacid,2-3-pyridinyloxy acetic acid,2-pyridin-3-yloxy aceticacid,acetic acid, 3-pyridinyloxy,2-pyridine-3-yl oxyacetic acid |
| IUPAC Name | 2-pyridin-3-yloxyacetic acid |
| InChI Key | MBEPWLCDXKKANL-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
D-(+)-Maltose Monohydrate, ≥92% (Dry Basis), Ultrapure
CAS: 6363-53-7 Molecular Formula: C12H22O11·H2O Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2 r,3 r,4 r,5 r-2,3,5,6-tetrahydroxy-4-2 r,3 r,4 s,5 s,6 r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
| CAS | 6363-53-7 |
|---|---|
| Molecular Weight (g/mol) | 360.31 |
| MDL Number | MFCD00149343 |
| SMILES | O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O |
| Synonym | d-+-maltose monohydrate,unii-dm477ee40d,2 r,3 r,4 r,5 r-2,3,5,6-tetrahydroxy-4-2 r,3 r,4 s,5 s,6 r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra |
| IUPAC Name | 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate |
| InChI Key | HBDJFVFTHLOSDW-UHFFFAOYNA-N |
| Molecular Formula | C12H22O11·H2O |
Amiodarone hydrochloride
CAS: 19774-82-4 Molecular Formula: C25H30ClI2NO3 Molecular Weight (g/mol): 681.778 MDL Number: MFCD00069204 InChI Key: ITPDYQOUSLNIHG-UHFFFAOYSA-N Synonym: amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron PubChem CID: 441325 IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl
| PubChem CID | 441325 |
|---|---|
| CAS | 19774-82-4 |
| Molecular Weight (g/mol) | 681.778 |
| MDL Number | MFCD00069204 |
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl |
| Synonym | amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron |
| IUPAC Name | (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride |
| InChI Key | ITPDYQOUSLNIHG-UHFFFAOYSA-N |
| Molecular Formula | C25H30ClI2NO3 |
6-Bromoindole-3-carboxaldehyde, 95%
CAS: 17826-04-9 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00792689 InChI Key: WCCLQCBKBPTODV-UHFFFAOYSA-N Synonym: 6-bromoindole-3-carboxaldehyde,6-bromoindole-3-carbaldehyde,6-bromo-3-formylindole,6-bromo-1h-indole-3-carboxaldehyde,6-bromindol-3-carbaldehyde,1h-indole-3-carboxaldehyde, 6-bromo,pubchem7691,acmc-209ee9,ksc536o3d,wcclqcbkbptodv-uhfffaoysa PubChem CID: 2794830 IUPAC Name: 6-bromo-1H-indole-3-carbaldehyde SMILES: BrC1=CC=C2C(NC=C2C=O)=C1
| PubChem CID | 2794830 |
|---|---|
| CAS | 17826-04-9 |
| Molecular Weight (g/mol) | 224.06 |
| MDL Number | MFCD00792689 |
| SMILES | BrC1=CC=C2C(NC=C2C=O)=C1 |
| Synonym | 6-bromoindole-3-carboxaldehyde,6-bromoindole-3-carbaldehyde,6-bromo-3-formylindole,6-bromo-1h-indole-3-carboxaldehyde,6-bromindol-3-carbaldehyde,1h-indole-3-carboxaldehyde, 6-bromo,pubchem7691,acmc-209ee9,ksc536o3d,wcclqcbkbptodv-uhfffaoysa |
| IUPAC Name | 6-bromo-1H-indole-3-carbaldehyde |
| InChI Key | WCCLQCBKBPTODV-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
1,3-Dibromo-2-propanone, 70%, tech.
CAS: 816-39-7 Molecular Formula: C3H4Br2O Molecular Weight (g/mol): 215.87 MDL Number: MFCD00013540 InChI Key: LQQKDSXCDXHLLF-UHFFFAOYSA-N Synonym: 1,3-dibromoacetone,1,3-dibromo-2-propanone,2-propanone, 1,3-dibromo,1,3-dibromopropanone,bromomethyl ketone,bromomethylketone,sgqdllrxbrwsp@,1,3-dibromacetone,acmc-20ap4e,2-propanone,3-dibromo PubChem CID: 69952 IUPAC Name: 1,3-dibromopropan-2-one SMILES: C(C(=O)CBr)Br
| PubChem CID | 69952 |
|---|---|
| CAS | 816-39-7 |
| Molecular Weight (g/mol) | 215.87 |
| MDL Number | MFCD00013540 |
| SMILES | C(C(=O)CBr)Br |
| Synonym | 1,3-dibromoacetone,1,3-dibromo-2-propanone,2-propanone, 1,3-dibromo,1,3-dibromopropanone,bromomethyl ketone,bromomethylketone,sgqdllrxbrwsp@,1,3-dibromacetone,acmc-20ap4e,2-propanone,3-dibromo |
| IUPAC Name | 1,3-dibromopropan-2-one |
| InChI Key | LQQKDSXCDXHLLF-UHFFFAOYSA-N |
| Molecular Formula | C3H4Br2O |
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CAS: 9004-70-0 Molecular Formula: C24H36N8O38 Molecular Weight (g/mol): 1044.57 InChI Key: OWWGYSXLINVAES-UHFFFAOYNA-N IUPAC Name: 2,3-bis(nitrooxy)-6-[(nitrooxy)methyl]-5-{[3,4,5-tris(nitrooxy)-6-[(nitrooxy)methyl]oxan-2-yl]oxy}oxan-4-yl nitrate; 2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol SMILES: OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O.[O-][N+](=O)OCC1OC(O[N+]([O-])=O)C(O[N+]([O-])=O)C(O[N+]([O-])=O)C1OC1OC(CO[N+]([O-])=O)C(O[N+]([O-])=O)C(O[N+]([O-])=O)C1O[N+]([O-])=O
| CAS | 9004-70-0 |
|---|---|
| Molecular Weight (g/mol) | 1044.57 |
| SMILES | OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O.[O-][N+](=O)OCC1OC(O[N+]([O-])=O)C(O[N+]([O-])=O)C(O[N+]([O-])=O)C1OC1OC(CO[N+]([O-])=O)C(O[N+]([O-])=O)C(O[N+]([O-])=O)C1O[N+]([O-])=O |
| IUPAC Name | 2,3-bis(nitrooxy)-6-[(nitrooxy)methyl]-5-{[3,4,5-tris(nitrooxy)-6-[(nitrooxy)methyl]oxan-2-yl]oxy}oxan-4-yl nitrate; 2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol |
| InChI Key | OWWGYSXLINVAES-UHFFFAOYNA-N |
| Molecular Formula | C24H36N8O38 |
1-Methylindoline-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 60082-02-2 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD03208513 InChI Key: OZQGVTARHLDSTI-UHFFFAOYSA-N Synonym: 1-methylindoline-5-carbaldehyde,1-methyl-2,3-dihydro-1h-indole-5-carbaldehyde,1-methylindoline-5-carboxaldehyde,1-methyl-5-indolinecarbaldehyde,1-methyl-5-formylindoline,5-formyl-1-methylindoline,1-methyl-5-indolinecarbaldehyde #,2,3-dihydro-1-methyl-1h-indole-5-carboxaldehyde,1h-indole-5-carboxaldehyde, 2,3-dihydro-1-methyl PubChem CID: 595181 IUPAC Name: 1-methyl-2,3-dihydroindole-5-carbaldehyde SMILES: CN1CCC2=C1C=CC(=C2)C=O
| PubChem CID | 595181 |
|---|---|
| CAS | 60082-02-2 |
| Molecular Weight (g/mol) | 161.204 |
| MDL Number | MFCD03208513 |
| SMILES | CN1CCC2=C1C=CC(=C2)C=O |
| Synonym | 1-methylindoline-5-carbaldehyde,1-methyl-2,3-dihydro-1h-indole-5-carbaldehyde,1-methylindoline-5-carboxaldehyde,1-methyl-5-indolinecarbaldehyde,1-methyl-5-formylindoline,5-formyl-1-methylindoline,1-methyl-5-indolinecarbaldehyde #,2,3-dihydro-1-methyl-1h-indole-5-carboxaldehyde,1h-indole-5-carboxaldehyde, 2,3-dihydro-1-methyl |
| IUPAC Name | 1-methyl-2,3-dihydroindole-5-carbaldehyde |
| InChI Key | OZQGVTARHLDSTI-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO |
5-Methyl-2-phenyl-3-furaldehyde, 97%, Thermo Scientific™
CAS: 157836-53-8 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD08690281 InChI Key: KWEAOVDZILYEET-UHFFFAOYSA-N Synonym: 5-methyl-2-phenyl-3-furaldehyde,3-furancarboxaldehyde,5-methyl-2-phenyl PubChem CID: 10397534 IUPAC Name: 5-methyl-2-phenylfuran-3-carbaldehyde SMILES: CC1=CC(C=O)=C(O1)C1=CC=CC=C1
| PubChem CID | 10397534 |
|---|---|
| CAS | 157836-53-8 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD08690281 |
| SMILES | CC1=CC(C=O)=C(O1)C1=CC=CC=C1 |
| Synonym | 5-methyl-2-phenyl-3-furaldehyde,3-furancarboxaldehyde,5-methyl-2-phenyl |
| IUPAC Name | 5-methyl-2-phenylfuran-3-carbaldehyde |
| InChI Key | KWEAOVDZILYEET-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
(2-Phenylpyrimidin-5-yl)methanol, 97%, Thermo Scientific™
CAS: 886531-62-0 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD09817550 InChI Key: DJEBODXMCJKLPH-UHFFFAOYSA-N Synonym: 2-phenylpyrimidin-5-yl methanol,5-hydroxymethyl-2-phenylpyrimidine,phenyl-5-pyrimidine methanol,5-pyrimidinemethanol,2-phenyl,2-phenylpyrimidin-5-yl methan-1-ol PubChem CID: 21298145 IUPAC Name: (2-phenylpyrimidin-5-yl)methanol SMILES: C1=CC=C(C=C1)C2=NC=C(C=N2)CO
| PubChem CID | 21298145 |
|---|---|
| CAS | 886531-62-0 |
| Molecular Weight (g/mol) | 186.214 |
| MDL Number | MFCD09817550 |
| SMILES | C1=CC=C(C=C1)C2=NC=C(C=N2)CO |
| Synonym | 2-phenylpyrimidin-5-yl methanol,5-hydroxymethyl-2-phenylpyrimidine,phenyl-5-pyrimidine methanol,5-pyrimidinemethanol,2-phenyl,2-phenylpyrimidin-5-yl methan-1-ol |
| IUPAC Name | (2-phenylpyrimidin-5-yl)methanol |
| InChI Key | DJEBODXMCJKLPH-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
2-[2-(Dimethylamino)ethoxy]benzaldehyde, ≥97%, Thermo Scientific™
CAS: 15182-06-6 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD08146610 InChI Key: TWMYSXRSVLFCGX-UHFFFAOYSA-N PubChem CID: 6504241 IUPAC Name: 2-[2-(dimethylamino)ethoxy]benzaldehyde SMILES: CN(C)CCOC1=CC=CC=C1C=O
| PubChem CID | 6504241 |
|---|---|
| CAS | 15182-06-6 |
| Molecular Weight (g/mol) | 193.246 |
| MDL Number | MFCD08146610 |
| SMILES | CN(C)CCOC1=CC=CC=C1C=O |
| IUPAC Name | 2-[2-(dimethylamino)ethoxy]benzaldehyde |
| InChI Key | TWMYSXRSVLFCGX-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2 |
2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile, ≥95%, Thermo Scientific™
CAS: 859851-02-8 Molecular Formula: C7H5NO2S Molecular Weight (g/mol): 167.18 MDL Number: MFCD08060540 InChI Key: HSQAPDOVCIFQCU-UHFFFAOYSA-N Synonym: 2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbonitrile,2h,3h-thieno 3,4-b 1,4 dioxine-5-carbonitrile,thieno 3,4-b-1,4-dioxin-5-carbonitrile,2,3-dihydro,2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbonitrile PubChem CID: 7537659 IUPAC Name: 2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonitrile SMILES: N#CC1=C2OCCOC2=CS1
| PubChem CID | 7537659 |
|---|---|
| CAS | 859851-02-8 |
| Molecular Weight (g/mol) | 167.18 |
| MDL Number | MFCD08060540 |
| SMILES | N#CC1=C2OCCOC2=CS1 |
| Synonym | 2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbonitrile,2h,3h-thieno 3,4-b 1,4 dioxine-5-carbonitrile,thieno 3,4-b-1,4-dioxin-5-carbonitrile,2,3-dihydro,2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbonitrile |
| IUPAC Name | 2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonitrile |
| InChI Key | HSQAPDOVCIFQCU-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2S |
2-(Pyrid-2-yloxy)benzaldehyde, 97%, Thermo Scientific™
CAS: 141580-71-4 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.21 MDL Number: MFCD09025852 InChI Key: QCKZHTQRJYCZTD-UHFFFAOYSA-N Synonym: 2-pyrid-2-yloxy benzaldehyde,2-pyridin-2-yloxy benzaldehyde,2-2-pyridyloxy benzaldehyde,benzaldehyde,2-2-pyridinyloxy,2-pyridin-2-yl oxy benzaldehyde,acmc-1c27b PubChem CID: 19068727 SMILES: O=CC1=CC=CC=C1OC1=CC=CC=N1
| PubChem CID | 19068727 |
|---|---|
| CAS | 141580-71-4 |
| Molecular Weight (g/mol) | 199.21 |
| MDL Number | MFCD09025852 |
| SMILES | O=CC1=CC=CC=C1OC1=CC=CC=N1 |
| Synonym | 2-pyrid-2-yloxy benzaldehyde,2-pyridin-2-yloxy benzaldehyde,2-2-pyridyloxy benzaldehyde,benzaldehyde,2-2-pyridinyloxy,2-pyridin-2-yl oxy benzaldehyde,acmc-1c27b |
| InChI Key | QCKZHTQRJYCZTD-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO2 |
n-methyl-(3-methoxythien-2-yl)methylamine, 97%, Thermo Scientific™
CAS: 944450-93-5 Molecular Formula: C7H11NOS Molecular Weight (g/mol): 157.23 MDL Number: MFCD11841072 InChI Key: HDALHOAZSOWZLX-UHFFFAOYSA-N Synonym: 3-methoxythiophen-2-yl methyl methyl amine,3-methoxythiophen-2-yl-n-methylmethylamine,n-methyl-3-methoxythien-2-yl methylamine,3-methoxy-2-methylamino methyl thiophene,1-3-methoxythiophen-2-yl-n-methylmethanamine,3-methoxy 2-thienyl methyl methylamine PubChem CID: 43811050 IUPAC Name: 1-(3-methoxythiophen-2-yl)-N-methylmethanamine SMILES: CNCC1=C(OC)C=CS1
| PubChem CID | 43811050 |
|---|---|
| CAS | 944450-93-5 |
| Molecular Weight (g/mol) | 157.23 |
| MDL Number | MFCD11841072 |
| SMILES | CNCC1=C(OC)C=CS1 |
| Synonym | 3-methoxythiophen-2-yl methyl methyl amine,3-methoxythiophen-2-yl-n-methylmethylamine,n-methyl-3-methoxythien-2-yl methylamine,3-methoxy-2-methylamino methyl thiophene,1-3-methoxythiophen-2-yl-n-methylmethanamine,3-methoxy 2-thienyl methyl methylamine |
| IUPAC Name | 1-(3-methoxythiophen-2-yl)-N-methylmethanamine |
| InChI Key | HDALHOAZSOWZLX-UHFFFAOYSA-N |
| Molecular Formula | C7H11NOS |