Organic acids and derivatives
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Fludarabine Monophosphate 98.0+%, TCI America™
CAS: 75607-67-9 Molecular Formula: C10H13FN5O7P Molecular Weight (g/mol): 365.21 MDL Number: MFCD00866418 InChI Key: GIUYCYHIANZCFB-FJFJXFQQSA-N Synonym: fludarabine phosphate,fludara,fludarabine 5'-monophosphate,fludura,oforta,2-fluoro-ara amp,fludarabine monophosphate,famp,unii-1x9vk9o1sc PubChem CID: 30751 ChEBI: CHEBI:63599 IUPAC Name: {[(2R,3S,4S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid SMILES: NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]3O)C2=NC(F)=N1
| PubChem CID | 30751 |
|---|---|
| CAS | 75607-67-9 |
| Molecular Weight (g/mol) | 365.21 |
| ChEBI | CHEBI:63599 |
| MDL Number | MFCD00866418 |
| SMILES | NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]3O)C2=NC(F)=N1 |
| Synonym | fludarabine phosphate,fludara,fludarabine 5'-monophosphate,fludura,oforta,2-fluoro-ara amp,fludarabine monophosphate,famp,unii-1x9vk9o1sc |
| IUPAC Name | {[(2R,3S,4S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid |
| InChI Key | GIUYCYHIANZCFB-FJFJXFQQSA-N |
| Molecular Formula | C10H13FN5O7P |
3,5-Dimethoxybenzamide 98.0+%, TCI America™
CAS: 17213-58-0 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD00007987 InChI Key: YTLRWVNYANKXOW-UHFFFAOYSA-N Synonym: benzamide, 3,5-dimethoxy,acmc-1c3k0,3,5-dimethoxybenzamide PubChem CID: 72878 IUPAC Name: 3,5-dimethoxybenzamide SMILES: COC1=CC(=CC(OC)=C1)C(N)=O
| PubChem CID | 72878 |
|---|---|
| CAS | 17213-58-0 |
| Molecular Weight (g/mol) | 181.19 |
| MDL Number | MFCD00007987 |
| SMILES | COC1=CC(=CC(OC)=C1)C(N)=O |
| Synonym | benzamide, 3,5-dimethoxy,acmc-1c3k0,3,5-dimethoxybenzamide |
| IUPAC Name | 3,5-dimethoxybenzamide |
| InChI Key | YTLRWVNYANKXOW-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO3 |
tert-Butyl 2-Bromopropionate 97.0+%, TCI America™
CAS: 39149-80-9 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.083 MDL Number: MFCD00043897 InChI Key: CVAWKJKISIPBOD-UHFFFAOYSA-N Synonym: 2-Bromopropionic Acid tert-Butyl Ester PubChem CID: 545327 IUPAC Name: tert-butyl 2-bromopropanoate SMILES: CC(C(=O)OC(C)(C)C)Br
| PubChem CID | 545327 |
|---|---|
| CAS | 39149-80-9 |
| Molecular Weight (g/mol) | 209.083 |
| MDL Number | MFCD00043897 |
| SMILES | CC(C(=O)OC(C)(C)C)Br |
| Synonym | 2-Bromopropionic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl 2-bromopropanoate |
| InChI Key | CVAWKJKISIPBOD-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
Ethyl DL-3-Hydroxybutyrate 98.0+%, TCI America™
CAS: 5405-41-4 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004545 InChI Key: OMSUIQOIVADKIM-UHFFFAOYNA-N Synonym: ethyl 3-hydroxybutyrate,ethyl beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, ethyl ester,butyric acid, 3-hydroxy-, ethyl ester,fema no. 3428,ethyl 3-hydroxybutyrate natural,ethyl dl-3-hydroxybutyrate,ethyl 1-3-hydroxybutyrate,dl-3-hydroxy-n-butyric acid ethyl ester,ethyl3-hydroxybutyrate PubChem CID: 62572 ChEBI: CHEBI:87685 IUPAC Name: ethyl 3-hydroxybutanoate SMILES: CCOC(=O)CC(C)O
| PubChem CID | 62572 |
|---|---|
| CAS | 5405-41-4 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:87685 |
| MDL Number | MFCD00004545 |
| SMILES | CCOC(=O)CC(C)O |
| Synonym | ethyl 3-hydroxybutyrate,ethyl beta-hydroxybutyrate,butanoic acid, 3-hydroxy-, ethyl ester,butyric acid, 3-hydroxy-, ethyl ester,fema no. 3428,ethyl 3-hydroxybutyrate natural,ethyl dl-3-hydroxybutyrate,ethyl 1-3-hydroxybutyrate,dl-3-hydroxy-n-butyric acid ethyl ester,ethyl3-hydroxybutyrate |
| IUPAC Name | ethyl 3-hydroxybutanoate |
| InChI Key | OMSUIQOIVADKIM-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
Allyl Trifluoroacetate 95.0+%, TCI America™
CAS: 383-67-5 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.088 MDL Number: MFCD00013567 InChI Key: XIVPVSIDXBTZLM-UHFFFAOYSA-N Synonym: allyl trifluoroacetate,allyl trifluoracetate,trifluoroacetic acid allyl ester,prop-2-en-1-yl 2,2,2-trifluoroacetate,allyltrifluoroacetate,pubchem12548,acmc-209izu,allyl alcohol, trifluoroacetate,acetic acid, trifluoro-, allyl ester PubChem CID: 67845 IUPAC Name: prop-2-enyl 2,2,2-trifluoroacetate SMILES: C=CCOC(=O)C(F)(F)F
| PubChem CID | 67845 |
|---|---|
| CAS | 383-67-5 |
| Molecular Weight (g/mol) | 154.088 |
| MDL Number | MFCD00013567 |
| SMILES | C=CCOC(=O)C(F)(F)F |
| Synonym | allyl trifluoroacetate,allyl trifluoracetate,trifluoroacetic acid allyl ester,prop-2-en-1-yl 2,2,2-trifluoroacetate,allyltrifluoroacetate,pubchem12548,acmc-209izu,allyl alcohol, trifluoroacetate,acetic acid, trifluoro-, allyl ester |
| IUPAC Name | prop-2-enyl 2,2,2-trifluoroacetate |
| InChI Key | XIVPVSIDXBTZLM-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O2 |
3-Aminobenzenesulfonic Acid 99.0+%, TCI America™
CAS: 121-47-1 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00065345 InChI Key: ZAJAQTYSTDTMCU-UHFFFAOYSA-N Synonym: metanilic acid,m-sulfanilic acid,m-aminobenzenesulfonic acid,m-anilinesulfonic acid,1-aminobenzene-3-sulfonic acid,benzenesulfonic acid, 3-amino,aminobenzenesulfonic acid,kyselina metanilova,3-amino-benzenesulfonic acid,3-sulfoaniline PubChem CID: 8474 ChEBI: CHEBI:27764 IUPAC Name: 3-aminobenzenesulfonic acid SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)N
| PubChem CID | 8474 |
|---|---|
| CAS | 121-47-1 |
| Molecular Weight (g/mol) | 173.186 |
| ChEBI | CHEBI:27764 |
| MDL Number | MFCD00065345 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)N |
| Synonym | metanilic acid,m-sulfanilic acid,m-aminobenzenesulfonic acid,m-anilinesulfonic acid,1-aminobenzene-3-sulfonic acid,benzenesulfonic acid, 3-amino,aminobenzenesulfonic acid,kyselina metanilova,3-amino-benzenesulfonic acid,3-sulfoaniline |
| IUPAC Name | 3-aminobenzenesulfonic acid |
| InChI Key | ZAJAQTYSTDTMCU-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S |
4,4'-(Hexafluoroisopropylidene)diphthalic Anhydride 98.0+%, TCI America™
CAS: 1107-00-2 Molecular Formula: C19H6F6O6 Molecular Weight (g/mol): 444.241 MDL Number: MFCD00039143 InChI Key: QHHKLPCQTTWFSS-UHFFFAOYSA-N Synonym: 4,4'-hexafluoroisopropylidene diphthalic anhydride,4,4'-hexafluoroisopropylidene diphthalicanhydride,5,5'-perfluoropropane-2,2-diyl bis isobenzofuran-1,3-dione,2,2-bis 3,4-anhydrodicarboxyphenyl hexafluoropropane,4,4'-hexafluoroisopropylidene bis phthalic anhydride,6fda,1,3-isobenzofurandione, 5,5'-2,2,2-trifluoro-1-trifluoromethyl ethylidene bis,2,2-bis 3,4-dicarboxyphenyl-1,1,1,3,3,3-hexafluoropropane dianhydride,5-2-1,3-dioxo-2-benzofuran-5-yl-1,1,1,3,3,3-hexafluoropropan-2-yl-2-benzofuran-1,3-dione,2,2'-bis-3,4-dicarboxyphenyl hexafluoropropane dianhydride PubChem CID: 70677 IUPAC Name: 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione SMILES: C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O
| PubChem CID | 70677 |
|---|---|
| CAS | 1107-00-2 |
| Molecular Weight (g/mol) | 444.241 |
| MDL Number | MFCD00039143 |
| SMILES | C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O |
| Synonym | 4,4'-hexafluoroisopropylidene diphthalic anhydride,4,4'-hexafluoroisopropylidene diphthalicanhydride,5,5'-perfluoropropane-2,2-diyl bis isobenzofuran-1,3-dione,2,2-bis 3,4-anhydrodicarboxyphenyl hexafluoropropane,4,4'-hexafluoroisopropylidene bis phthalic anhydride,6fda,1,3-isobenzofurandione, 5,5'-2,2,2-trifluoro-1-trifluoromethyl ethylidene bis,2,2-bis 3,4-dicarboxyphenyl-1,1,1,3,3,3-hexafluoropropane dianhydride,5-2-1,3-dioxo-2-benzofuran-5-yl-1,1,1,3,3,3-hexafluoropropan-2-yl-2-benzofuran-1,3-dione,2,2'-bis-3,4-dicarboxyphenyl hexafluoropropane dianhydride |
| IUPAC Name | 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione |
| InChI Key | QHHKLPCQTTWFSS-UHFFFAOYSA-N |
| Molecular Formula | C19H6F6O6 |
N-Acetylphthalimide 98.0+%, TCI America™
CAS: 1971-49-9 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00023054 InChI Key: INZUQGFQRYAKQQ-UHFFFAOYSA-N Synonym: n-acetylphthalimide,2-acetylisoindoline-1,3-dione,acetylphthalimide,phthalimide, n-acetyl,2-acetyl-1,3-dioxobenzo c azoline,n-acetylphthali-mide,1h-isoindole-1,3 2h-dione, 2-acetyl,maybridge1_007322,acmc-209f0t PubChem CID: 243267 IUPAC Name: 2-acetylisoindole-1,3-dione SMILES: CC(=O)N1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 243267 |
|---|---|
| CAS | 1971-49-9 |
| Molecular Weight (g/mol) | 189.17 |
| MDL Number | MFCD00023054 |
| SMILES | CC(=O)N1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-acetylphthalimide,2-acetylisoindoline-1,3-dione,acetylphthalimide,phthalimide, n-acetyl,2-acetyl-1,3-dioxobenzo c azoline,n-acetylphthali-mide,1h-isoindole-1,3 2h-dione, 2-acetyl,maybridge1_007322,acmc-209f0t |
| IUPAC Name | 2-acetylisoindole-1,3-dione |
| InChI Key | INZUQGFQRYAKQQ-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO3 |
1,3,4,6-Tetra-O-acetyl-2-azido-2-deoxy-alpha-D-mannopyranose 98.0+%, TCI America™
CAS: 68733-20-0 Molecular Formula: C14H19N3O9 Molecular Weight (g/mol): 373.318 MDL Number: MFCD01321201 InChI Key: QKGHBQJLEHAMKJ-ITGHMWBKSA-N PubChem CID: 11291742 IUPAC Name: [(2R,3S,4R,5S,6R)-3,4,6-triacetyloxy-5-azidooxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C
| PubChem CID | 11291742 |
|---|---|
| CAS | 68733-20-0 |
| Molecular Weight (g/mol) | 373.318 |
| MDL Number | MFCD01321201 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C |
| IUPAC Name | [(2R,3S,4R,5S,6R)-3,4,6-triacetyloxy-5-azidooxan-2-yl]methyl acetate |
| InChI Key | QKGHBQJLEHAMKJ-ITGHMWBKSA-N |
| Molecular Formula | C14H19N3O9 |
2-Pyridyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 65007-00-3 Molecular Formula: C6H4F3NO3S Molecular Weight (g/mol): 227.157 MDL Number: MFCD00192531 InChI Key: COLRMVLTWJTLFJ-UHFFFAOYSA-N Synonym: 2-pyridyl trifluoromethanesulfonate,2-pyridyl triflate,pyridyl triflate,acmc-1bdfn,2-pyridyltrifluoromethanesulfonate,2-pyridyl trifluoromethane-sulfonate,pyridin-2-yltrifluoromethanesulfonate,2-trifluoro-methylsulfonyloxy-pyridine,trifluoromethanesulfonic acid 2-pyridyl ester PubChem CID: 3947626 IUPAC Name: pyridin-2-yl trifluoromethanesulfonate SMILES: C1=CC=NC(=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 3947626 |
|---|---|
| CAS | 65007-00-3 |
| Molecular Weight (g/mol) | 227.157 |
| MDL Number | MFCD00192531 |
| SMILES | C1=CC=NC(=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | 2-pyridyl trifluoromethanesulfonate,2-pyridyl triflate,pyridyl triflate,acmc-1bdfn,2-pyridyltrifluoromethanesulfonate,2-pyridyl trifluoromethane-sulfonate,pyridin-2-yltrifluoromethanesulfonate,2-trifluoro-methylsulfonyloxy-pyridine,trifluoromethanesulfonic acid 2-pyridyl ester |
| IUPAC Name | pyridin-2-yl trifluoromethanesulfonate |
| InChI Key | COLRMVLTWJTLFJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4F3NO3S |
Diethyl Phosphoramidate 98.0+%, TCI America™
CAS: 1068-21-9 Molecular Formula: C4H12NO3P Molecular Weight (g/mol): 153.118 MDL Number: MFCD00015676 InChI Key: MCQILDHFZKTBOD-UHFFFAOYSA-N Synonym: Diethyl Amidophosphate, Diethyl Phosphoryl Amide PubChem CID: 70605 IUPAC Name: [amino(ethoxy)phosphoryl]oxyethane SMILES: CCOP(=O)(N)OCC
| PubChem CID | 70605 |
|---|---|
| CAS | 1068-21-9 |
| Molecular Weight (g/mol) | 153.118 |
| MDL Number | MFCD00015676 |
| SMILES | CCOP(=O)(N)OCC |
| Synonym | Diethyl Amidophosphate, Diethyl Phosphoryl Amide |
| IUPAC Name | [amino(ethoxy)phosphoryl]oxyethane |
| InChI Key | MCQILDHFZKTBOD-UHFFFAOYSA-N |
| Molecular Formula | C4H12NO3P |
1,4-Butanediol Dimethanesulfonate 97.0+%, TCI America™
CAS: 55-98-1 Molecular Formula: C6H14O6S2 Molecular Weight (g/mol): 246.292 MDL Number: MFCD00007562 InChI Key: COVZYZSDYWQREU-UHFFFAOYSA-N Synonym: busulfan,myleran,busulphan,sulphabutin,leucosulfan,myelosan,busulfex,citosulfan,mielucin,misulban PubChem CID: 2478 ChEBI: CHEBI:28901 IUPAC Name: 4-methylsulfonyloxybutyl methanesulfonate SMILES: CS(=O)(=O)OCCCCOS(=O)(=O)C
| PubChem CID | 2478 |
|---|---|
| CAS | 55-98-1 |
| Molecular Weight (g/mol) | 246.292 |
| ChEBI | CHEBI:28901 |
| MDL Number | MFCD00007562 |
| SMILES | CS(=O)(=O)OCCCCOS(=O)(=O)C |
| Synonym | busulfan,myleran,busulphan,sulphabutin,leucosulfan,myelosan,busulfex,citosulfan,mielucin,misulban |
| IUPAC Name | 4-methylsulfonyloxybutyl methanesulfonate |
| InChI Key | COVZYZSDYWQREU-UHFFFAOYSA-N |
| Molecular Formula | C6H14O6S2 |
Methyl 2-Pyridylacetate 97.0+%, TCI America™
CAS: 1658-42-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00006358 InChI Key: ORAKNQSHWMHCEY-UHFFFAOYSA-N Synonym: methyl 2-pyridylacetate,methyl 2-pyridin-2-yl acetate,2-pyridylacetic acid methyl ester,2-pyridineacetic acid, methyl ester,methyl 2-pyridinylacetate,methyl pyridin-2-ylacetate,methyl 2-pyridineacetate,2-pyridineacetic acid methyl ester,pyridin-2-yl-acetic acid methyl ester,methyl pyridine-2-acetate PubChem CID: 74264 IUPAC Name: methyl 2-(pyridin-2-yl)acetate SMILES: COC(=O)CC1=CC=CC=N1
| PubChem CID | 74264 |
|---|---|
| CAS | 1658-42-0 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00006358 |
| SMILES | COC(=O)CC1=CC=CC=N1 |
| Synonym | methyl 2-pyridylacetate,methyl 2-pyridin-2-yl acetate,2-pyridylacetic acid methyl ester,2-pyridineacetic acid, methyl ester,methyl 2-pyridinylacetate,methyl pyridin-2-ylacetate,methyl 2-pyridineacetate,2-pyridineacetic acid methyl ester,pyridin-2-yl-acetic acid methyl ester,methyl pyridine-2-acetate |
| IUPAC Name | methyl 2-(pyridin-2-yl)acetate |
| InChI Key | ORAKNQSHWMHCEY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
3-Benzalphthalide 99.0+%, TCI America™
CAS: 575-61-1 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.243 MDL Number: MFCD00005929 InChI Key: YRTPZXMEBGTPLM-GXDHUFHOSA-N Synonym: benzylidenephthalide,unii-c9e8s3agyq,escalol 547,c9e8s3agyq,3-benzylidenephthalide,3-benzalphthalide,phthalide, 3-benzylidene,1 3h-isobenzofuranane, 3-phenylmethylene,3-benzylidene-2-benzofuran-1 3h-one,3-phenylmethylene-1 3h-isobenzofuranone PubChem CID: 700611 IUPAC Name: (3E)-3-benzylidene-2-benzofuran-1-one SMILES: C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2
| PubChem CID | 700611 |
|---|---|
| CAS | 575-61-1 |
| Molecular Weight (g/mol) | 222.243 |
| MDL Number | MFCD00005929 |
| SMILES | C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2 |
| Synonym | benzylidenephthalide,unii-c9e8s3agyq,escalol 547,c9e8s3agyq,3-benzylidenephthalide,3-benzalphthalide,phthalide, 3-benzylidene,1 3h-isobenzofuranane, 3-phenylmethylene,3-benzylidene-2-benzofuran-1 3h-one,3-phenylmethylene-1 3h-isobenzofuranone |
| IUPAC Name | (3E)-3-benzylidene-2-benzofuran-1-one |
| InChI Key | YRTPZXMEBGTPLM-GXDHUFHOSA-N |
| Molecular Formula | C15H10O2 |
3-Methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 10365-98-7 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.96 MDL Number: MFCD00161359 InChI Key: NLLGFYPSWCMUIV-UHFFFAOYSA-N Synonym: 3-methoxyphenyl boronic acid,3-methoxybenzeneboronic acid,3-methoxyphenyl boranediol,3-methoxypenylboronic acid,3-boronanisole,3-boronoanisole,boronic acid, 3-methoxyphenyl,m-methoxyphenylboronic acid,3-methoxy phenylboronic acid PubChem CID: 2734370 IUPAC Name: (3-methoxyphenyl)boronic acid SMILES: COC1=CC=CC(=C1)B(O)O
| PubChem CID | 2734370 |
|---|---|
| CAS | 10365-98-7 |
| Molecular Weight (g/mol) | 151.96 |
| MDL Number | MFCD00161359 |
| SMILES | COC1=CC=CC(=C1)B(O)O |
| Synonym | 3-methoxyphenyl boronic acid,3-methoxybenzeneboronic acid,3-methoxyphenyl boranediol,3-methoxypenylboronic acid,3-boronanisole,3-boronoanisole,boronic acid, 3-methoxyphenyl,m-methoxyphenylboronic acid,3-methoxy phenylboronic acid |
| IUPAC Name | (3-methoxyphenyl)boronic acid |
| InChI Key | NLLGFYPSWCMUIV-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |