Organooxygen compounds
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Bupropion hydrochloride, 99%
CAS: 31677-93-7 Molecular Formula: C13H19Cl2NO Molecular Weight (g/mol): 276.201 MDL Number: MFCD00055209 InChI Key: HEYVINCGKDONRU-UHFFFAOYSA-N Synonym: bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl PubChem CID: 62884 IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl
| PubChem CID | 62884 |
|---|---|
| CAS | 31677-93-7 |
| Molecular Weight (g/mol) | 276.201 |
| MDL Number | MFCD00055209 |
| SMILES | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl |
| Synonym | bupropion hydrochloride,wellbutrin,2-tert-butylamino-1-3-chlorophenyl propan-1-one hydrochloride,bupropion hcl,zyban,wellbutrin xl,bupropion hydrocloride,wellbutrin sr,budeprion,forfivo xl |
| IUPAC Name | 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride |
| InChI Key | HEYVINCGKDONRU-UHFFFAOYSA-N |
| Molecular Formula | C13H19Cl2NO |
Dexamethasone 21-phosphate disodium salt, 98%
CAS: 2392-39-4 Molecular Formula: C22H28FNa2O8P Molecular Weight (g/mol): 516.41 MDL Number: MFCD00079105 InChI Key: PLCQGRYPOISRTQ-FCJDYXGNSA-L Synonym: dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron PubChem CID: 16961 ChEBI: CHEBI:4462 IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
| PubChem CID | 16961 |
|---|---|
| CAS | 2392-39-4 |
| Molecular Weight (g/mol) | 516.41 |
| ChEBI | CHEBI:4462 |
| MDL Number | MFCD00079105 |
| SMILES | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] |
| Synonym | dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron |
| IUPAC Name | disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate |
| InChI Key | PLCQGRYPOISRTQ-FCJDYXGNSA-L |
| Molecular Formula | C22H28FNa2O8P |
Tellurium(IV) ethoxide, tech. 85%, remainder ethanol
CAS: 2017-01-8 Molecular Formula: C6H14N2O Molecular Weight (g/mol): 130.19 MDL Number: MFCD00270937 InChI Key: RWIVICVCHVMHMU-UHFFFAOYSA-N PubChem CID: 408285 IUPAC Name: 2-morpholin-4-ylethanamine SMILES: C1COCCN1CCN
| PubChem CID | 408285 |
|---|---|
| CAS | 2017-01-8 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00270937 |
| SMILES | C1COCCN1CCN |
| IUPAC Name | 2-morpholin-4-ylethanamine |
| InChI Key | RWIVICVCHVMHMU-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2O |
myo-Inositol, 99%
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00077932 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 87-89-8 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:24848 |
| MDL Number | MFCD00077932 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| Synonym | scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
L-Kynurenine
CAS: 2922-83-0 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00069912 InChI Key: YGPSJZOEDVAXAB-QMMMGPOBSA-N Synonym: l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid PubChem CID: 161166 ChEBI: CHEBI:16946 IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid SMILES: N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
| PubChem CID | 161166 |
|---|---|
| CAS | 2922-83-0 |
| Molecular Weight (g/mol) | 208.22 |
| ChEBI | CHEBI:16946 |
| MDL Number | MFCD00069912 |
| SMILES | N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O |
| Synonym | l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid |
| IUPAC Name | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
| InChI Key | YGPSJZOEDVAXAB-QMMMGPOBSA-N |
| Molecular Formula | C10H12N2O3 |
Nabumetone
CAS: 42924-53-8 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.291 MDL Number: MFCD00079518 InChI Key: BLXXJMDCKKHMKV-UHFFFAOYSA-N Synonym: nabumetone,relafen,4-6-methoxynaphthalen-2-yl butan-2-one,arthaxan,nabumetona,relifex,listran,relifen,nabumeton,consolan PubChem CID: 4409 ChEBI: CHEBI:7443 IUPAC Name: 4-(6-methoxynaphthalen-2-yl)butan-2-one SMILES: CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC
| PubChem CID | 4409 |
|---|---|
| CAS | 42924-53-8 |
| Molecular Weight (g/mol) | 228.291 |
| ChEBI | CHEBI:7443 |
| MDL Number | MFCD00079518 |
| SMILES | CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC |
| Synonym | nabumetone,relafen,4-6-methoxynaphthalen-2-yl butan-2-one,arthaxan,nabumetona,relifex,listran,relifen,nabumeton,consolan |
| IUPAC Name | 4-(6-methoxynaphthalen-2-yl)butan-2-one |
| InChI Key | BLXXJMDCKKHMKV-UHFFFAOYSA-N |
| Molecular Formula | C15H16O2 |
2-Amino-4'-bromoacetophenone hydrochloride, 98%
CAS: 5467-72-1 Molecular Formula: C8H9BrClNO Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
| PubChem CID | 2798216 |
|---|---|
| CAS | 5467-72-1 |
| Molecular Weight (g/mol) | 250.52 |
| MDL Number | MFCD00051998 |
| SMILES | C1=CC(=CC=C1C(=O)CN)Br.Cl |
| Synonym | 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl |
| IUPAC Name | 2-amino-1-(4-bromophenyl)ethanone;hydrochloride |
| InChI Key | ROAVTVXTYFSQEA-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrClNO |
1-Phenyl-1,4-pentanedione, 96%
CAS: 583-05-1 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00092889 InChI Key: RBLXWIPBPPVLPU-UHFFFAOYSA-N Synonym: 1-phenyl-1,4-pentanedione,1-phenyl-pentane-1,4-dione,1,4-pentanedione, 1-phenyl,acmc-20aosh,1-phenyl-1,4-pentandione,5-phenyl-2,5-pentanedione,benzil-related compound, 41,1-phenyl pentane-1,4-dione PubChem CID: 136371 IUPAC Name: 1-phenylpentane-1,4-dione SMILES: CC(=O)CCC(=O)C1=CC=CC=C1
| PubChem CID | 136371 |
|---|---|
| CAS | 583-05-1 |
| Molecular Weight (g/mol) | 176.215 |
| MDL Number | MFCD00092889 |
| SMILES | CC(=O)CCC(=O)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1,4-pentanedione,1-phenyl-pentane-1,4-dione,1,4-pentanedione, 1-phenyl,acmc-20aosh,1-phenyl-1,4-pentandione,5-phenyl-2,5-pentanedione,benzil-related compound, 41,1-phenyl pentane-1,4-dione |
| IUPAC Name | 1-phenylpentane-1,4-dione |
| InChI Key | RBLXWIPBPPVLPU-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
2,2,2-Trimethylacetophenone, 97%
CAS: 938-16-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.232 MDL Number: MFCD00008844 InChI Key: OECPUBRNDKXFDX-UHFFFAOYSA-N Synonym: 2,2-dimethylpropiophenone,pivalophenone,2,2,2-trimethylacetophenone,phenyl tert-butyl ketone,tert-butyl phenyl ketone,1-propanone, 2,2-dimethyl-1-phenyl,unii-96ba178unx,t-bubz,t-butyl phenyl ketone,dsstox_cid_28184 PubChem CID: 70308 IUPAC Name: 2,2-dimethyl-1-phenylpropan-1-one SMILES: CC(C)(C)C(=O)C1=CC=CC=C1
| PubChem CID | 70308 |
|---|---|
| CAS | 938-16-9 |
| Molecular Weight (g/mol) | 162.232 |
| MDL Number | MFCD00008844 |
| SMILES | CC(C)(C)C(=O)C1=CC=CC=C1 |
| Synonym | 2,2-dimethylpropiophenone,pivalophenone,2,2,2-trimethylacetophenone,phenyl tert-butyl ketone,tert-butyl phenyl ketone,1-propanone, 2,2-dimethyl-1-phenyl,unii-96ba178unx,t-bubz,t-butyl phenyl ketone,dsstox_cid_28184 |
| IUPAC Name | 2,2-dimethyl-1-phenylpropan-1-one |
| InChI Key | OECPUBRNDKXFDX-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
2',5'-Dihydroxyacetophenone, 98+%
CAS: 490-78-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002343 InChI Key: WLDWSGZHNBANIO-UHFFFAOYSA-N Synonym: 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy PubChem CID: 10279 IUPAC Name: 1-(2,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)O)O
| PubChem CID | 10279 |
|---|---|
| CAS | 490-78-8 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002343 |
| SMILES | CC(=O)C1=C(C=CC(=C1)O)O |
| Synonym | 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy |
| IUPAC Name | 1-(2,5-dihydroxyphenyl)ethanone |
| InChI Key | WLDWSGZHNBANIO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
(S)-(-)-2-Phenyl-1-propanol, 98+%
CAS: 37778-99-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00145249 InChI Key: RNDNSYIPLPAXAZ-MRVPVSSYSA-N Synonym: s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol PubChem CID: 447661 IUPAC Name: (2S)-2-phenylpropan-1-ol SMILES: CC(CO)C1=CC=CC=C1
| PubChem CID | 447661 |
|---|---|
| CAS | 37778-99-7 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00145249 |
| SMILES | CC(CO)C1=CC=CC=C1 |
| Synonym | s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol |
| IUPAC Name | (2S)-2-phenylpropan-1-ol |
| InChI Key | RNDNSYIPLPAXAZ-MRVPVSSYSA-N |
| Molecular Formula | C9H12O |
2-(2-Aminoethoxy)ethanol, 98%
CAS: 929-06-6 Molecular Formula: C4H11NO2 Molecular Weight (g/mol): 105.137 MDL Number: MFCD00008181 InChI Key: GIAFURWZWWWBQT-UHFFFAOYSA-N Synonym: 2-2-aminoethoxy ethanol,diglycolamine,2-aminoethoxyethanol,ethanol, 2-2-aminoethoxy,diethylene glycol amine,2-2-hydroxyethoxy ethylamine,diethylene glycol monoamine,2-amino-2'-hydroxydiethyl ether,1-amino-2-2-hydroxyethoxy ethane,5-hydroxy-3-oxapentylamine PubChem CID: 13578 IUPAC Name: 2-(2-aminoethoxy)ethanol SMILES: C(COCCO)N
| PubChem CID | 13578 |
|---|---|
| CAS | 929-06-6 |
| Molecular Weight (g/mol) | 105.137 |
| MDL Number | MFCD00008181 |
| SMILES | C(COCCO)N |
| Synonym | 2-2-aminoethoxy ethanol,diglycolamine,2-aminoethoxyethanol,ethanol, 2-2-aminoethoxy,diethylene glycol amine,2-2-hydroxyethoxy ethylamine,diethylene glycol monoamine,2-amino-2'-hydroxydiethyl ether,1-amino-2-2-hydroxyethoxy ethane,5-hydroxy-3-oxapentylamine |
| IUPAC Name | 2-(2-aminoethoxy)ethanol |
| InChI Key | GIAFURWZWWWBQT-UHFFFAOYSA-N |
| Molecular Formula | C4H11NO2 |
3,3,3-Trifluoro-1-propanol, 97%
CAS: 2240-88-2 Molecular Formula: C3H5F3O Molecular Weight (g/mol): 114.067 MDL Number: MFCD00190649 InChI Key: HDBGBTNNPRCVND-UHFFFAOYSA-N Synonym: 3,3,3-trifluoro-1-propanol,3,3,3-trifluoropropanol,1-propanol, 3,3,3-trifluoro,trifluoropropanol,acmc-1cqb1,3,3,3-trifluoropropanol-1,2-trifluoromethyl ethan-1-ol,3,3,3-trifluoro-propan-1-ol,poly difluoromethylene , alpha-fluoro-omega-2-hydroxyethyl,3-hydroxy-1,1,1-trifluoropropane PubChem CID: 137512 IUPAC Name: 3,3,3-trifluoropropan-1-ol SMILES: C(CO)C(F)(F)F
| PubChem CID | 137512 |
|---|---|
| CAS | 2240-88-2 |
| Molecular Weight (g/mol) | 114.067 |
| MDL Number | MFCD00190649 |
| SMILES | C(CO)C(F)(F)F |
| Synonym | 3,3,3-trifluoro-1-propanol,3,3,3-trifluoropropanol,1-propanol, 3,3,3-trifluoro,trifluoropropanol,acmc-1cqb1,3,3,3-trifluoropropanol-1,2-trifluoromethyl ethan-1-ol,3,3,3-trifluoro-propan-1-ol,poly difluoromethylene , alpha-fluoro-omega-2-hydroxyethyl,3-hydroxy-1,1,1-trifluoropropane |
| IUPAC Name | 3,3,3-trifluoropropan-1-ol |
| InChI Key | HDBGBTNNPRCVND-UHFFFAOYSA-N |
| Molecular Formula | C3H5F3O |
4-Ethoxybenzaldehyde, 97+%
CAS: 10031-82-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00003388 InChI Key: JRHHJNMASOIRDS-UHFFFAOYSA-N Synonym: benzaldehyde, 4-ethoxy,p-ethoxybenzaldehyde,ethoxybenzaldehyde,benzaldehyde, p-ethoxy,homoanisaldehyde,4-ethyloxy benzaldehyde,unii-gow1h0f49a,fema no. 2413,4-ethoxy-benzaldehyde,ethoxybenzaldehyde, p PubChem CID: 24834 IUPAC Name: 4-ethoxybenzaldehyde SMILES: CCOC1=CC=C(C=O)C=C1
| PubChem CID | 24834 |
|---|---|
| CAS | 10031-82-0 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00003388 |
| SMILES | CCOC1=CC=C(C=O)C=C1 |
| Synonym | benzaldehyde, 4-ethoxy,p-ethoxybenzaldehyde,ethoxybenzaldehyde,benzaldehyde, p-ethoxy,homoanisaldehyde,4-ethyloxy benzaldehyde,unii-gow1h0f49a,fema no. 2413,4-ethoxy-benzaldehyde,ethoxybenzaldehyde, p |
| IUPAC Name | 4-ethoxybenzaldehyde |
| InChI Key | JRHHJNMASOIRDS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
7-Methylindole-3-carboxaldehyde, 98%
CAS: 4771-50-0 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00047170 InChI Key: KTUFZHVVJBHGKZ-UHFFFAOYSA-N Synonym: 7-methylindole-3-carboxaldehyde,7-methylindole-3-carboxyaldehyde,3-formyl-7-methylindole,7-methylindole 3-carboxaldehyde,1h-indole-3-carboxaldehyde, 7-methyl,3-carboxaldehyde, 7-methylindole,7-methyl-1h-indole-3-carboxaldehyde,7-methylindole-3-carbaldehyde,pubchem8327,acmc-1ak55 PubChem CID: 260389 IUPAC Name: 7-methyl-1H-indole-3-carbaldehyde SMILES: CC1=C2NC=C(C=O)C2=CC=C1
| PubChem CID | 260389 |
|---|---|
| CAS | 4771-50-0 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00047170 |
| SMILES | CC1=C2NC=C(C=O)C2=CC=C1 |
| Synonym | 7-methylindole-3-carboxaldehyde,7-methylindole-3-carboxyaldehyde,3-formyl-7-methylindole,7-methylindole 3-carboxaldehyde,1h-indole-3-carboxaldehyde, 7-methyl,3-carboxaldehyde, 7-methylindole,7-methyl-1h-indole-3-carboxaldehyde,7-methylindole-3-carbaldehyde,pubchem8327,acmc-1ak55 |
| IUPAC Name | 7-methyl-1H-indole-3-carbaldehyde |
| InChI Key | KTUFZHVVJBHGKZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |