Carboxylic acids and derivatives
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Clomiphene citrate salt, MP Biomedicals™
CAS: 50-41-9 Molecular Formula: C32H36ClNO8 Molecular Weight (g/mol): 598.089 InChI Key: PYTMYKVIJXPNBD-BTKVJIOYSA-N Synonym: clomifene citrate,clomiphene citrate,clomid,cis-clomiphene citrate,clomiphene a citrate,zuclomid,chloramiphene,milophene,serophene,z-clomiphene citrate PubChem CID: 6420009 IUPAC Name: 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
| PubChem CID | 6420009 |
|---|---|
| CAS | 50-41-9 |
| Molecular Weight (g/mol) | 598.089 |
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Synonym | clomifene citrate,clomiphene citrate,clomid,cis-clomiphene citrate,clomiphene a citrate,zuclomid,chloramiphene,milophene,serophene,z-clomiphene citrate |
| IUPAC Name | 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | PYTMYKVIJXPNBD-BTKVJIOYSA-N |
| Molecular Formula | C32H36ClNO8 |
Ethyl hexanoate, 99%
CAS: 123-66-0 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00009511 InChI Key: SHZIWNPUGXLXDT-UHFFFAOYSA-N Synonym: ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester PubChem CID: 31265 ChEBI: CHEBI:86055 IUPAC Name: ethyl hexanoate SMILES: CCCCCC(=O)OCC
| PubChem CID | 31265 |
|---|---|
| CAS | 123-66-0 |
| Molecular Weight (g/mol) | 144.214 |
| ChEBI | CHEBI:86055 |
| MDL Number | MFCD00009511 |
| SMILES | CCCCCC(=O)OCC |
| Synonym | ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester |
| IUPAC Name | ethyl hexanoate |
| InChI Key | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
1H-Indazole-3-carboxylic acid, 98%
CAS: 4498-67-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00211066 InChI Key: BHXVYTQDWMQVBI-UHFFFAOYSA-N Synonym: indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid PubChem CID: 78250 IUPAC Name: 1H-indazole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=NN2)C(=O)O
| PubChem CID | 78250 |
|---|---|
| CAS | 4498-67-3 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00211066 |
| SMILES | C1=CC=C2C(=C1)C(=NN2)C(=O)O |
| Synonym | indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid |
| IUPAC Name | 1H-indazole-3-carboxylic acid |
| InChI Key | BHXVYTQDWMQVBI-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
5,5-Dimethylhydantoin, 97%
CAS: 77-71-4 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00005266 InChI Key: YIROYDNZEPTFOL-UHFFFAOYSA-N Synonym: 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin PubChem CID: 6491 IUPAC Name: 5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C)NC(=O)NC1=O
| PubChem CID | 6491 |
|---|---|
| CAS | 77-71-4 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00005266 |
| SMILES | CC1(C)NC(=O)NC1=O |
| Synonym | 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin |
| IUPAC Name | 5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | YIROYDNZEPTFOL-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O2 |
N-Methylphthalimide, 98%, Thermo Scientific Chemicals
CAS: 550-44-7 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00023063 InChI Key: ZXLYYQUMYFHCLQ-UHFFFAOYSA-N Synonym: n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u PubChem CID: 11074 IUPAC Name: 2-methylisoindole-1,3-dione SMILES: CN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11074 |
|---|---|
| CAS | 550-44-7 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00023063 |
| SMILES | CN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u |
| IUPAC Name | 2-methylisoindole-1,3-dione |
| InChI Key | ZXLYYQUMYFHCLQ-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Methyl pyruvate, 98%
CAS: 600-22-6 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.089 MDL Number: MFCD00008754 InChI Key: CWKLZLBVOJRSOM-UHFFFAOYSA-N Synonym: methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester PubChem CID: 11748 ChEBI: CHEBI:51850 IUPAC Name: methyl 2-oxopropanoate SMILES: CC(=O)C(=O)OC
| PubChem CID | 11748 |
|---|---|
| CAS | 600-22-6 |
| Molecular Weight (g/mol) | 102.089 |
| ChEBI | CHEBI:51850 |
| MDL Number | MFCD00008754 |
| SMILES | CC(=O)C(=O)OC |
| Synonym | methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester |
| IUPAC Name | methyl 2-oxopropanoate |
| InChI Key | CWKLZLBVOJRSOM-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
2-Aminonicotinamide, 97%
CAS: 13438-65-8 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.142 MDL Number: MFCD00128873 InChI Key: HTPCDVLWYUXWQR-UHFFFAOYSA-N Synonym: 2-aminonicotinamide,2-amino-nicotinamide,2-amino nicotinamide,3-pyridinecarboxamide,2-amino,3-pyridinecarboxamide, ar-amino,2-amino-3-pyridinecarboxamide,amino-nicotinamide,ar-aminonicotinamide,ar-amino-3-pyridinecarboxamide,nicotinamide, amino PubChem CID: 506623 IUPAC Name: 2-aminopyridine-3-carboxamide SMILES: C1=CC(=C(N=C1)N)C(=O)N
| PubChem CID | 506623 |
|---|---|
| CAS | 13438-65-8 |
| Molecular Weight (g/mol) | 137.142 |
| MDL Number | MFCD00128873 |
| SMILES | C1=CC(=C(N=C1)N)C(=O)N |
| Synonym | 2-aminonicotinamide,2-amino-nicotinamide,2-amino nicotinamide,3-pyridinecarboxamide,2-amino,3-pyridinecarboxamide, ar-amino,2-amino-3-pyridinecarboxamide,amino-nicotinamide,ar-aminonicotinamide,ar-amino-3-pyridinecarboxamide,nicotinamide, amino |
| IUPAC Name | 2-aminopyridine-3-carboxamide |
| InChI Key | HTPCDVLWYUXWQR-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
Ethyl 3-methyl-1H-pyrazole-5-carboxylate, 97%
CAS: 4027-57-0 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00052514 InChI Key: BOTXQJAHRCGJEG-UHFFFAOYSA-N PubChem CID: 77645 IUPAC Name: ethyl 5-methyl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(C)=C1
| PubChem CID | 77645 |
|---|---|
| CAS | 4027-57-0 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD00052514 |
| SMILES | CCOC(=O)C1=NNC(C)=C1 |
| IUPAC Name | ethyl 5-methyl-1H-pyrazole-3-carboxylate |
| InChI Key | BOTXQJAHRCGJEG-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
Spectrum Chemical Manufacturing Corporation Methyl Benzoate, 98%, Spectrum™ Chemical
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CAS: 93-58-3
| CAS | 93-58-3 |
|---|
Desmosine, 99.5%, MP Biomedicals™
CAS: 11003-57-9 Molecular Formula: C24H40N5O8 Molecular Weight (g/mol): 526.61 InChI Key: VEVRNHHLCPGNDU-UHFFFAOYNA-O Synonym: desmosine,norleucine, 6-4-4-amino-4-carboxybutyl-3,5-bis 3-amino-3-carboxypropyl pyridinio,2-amino-6-3,5-bis 3-amino-4-hydroxy-4-oxobutyl-4-4-amino-5-hydroxy-5-oxopentyl pyridin-1-ium-1-yl hexanoic acid PubChem CID: 15942890 ChEBI: CHEBI:37628
| PubChem CID | 15942890 |
|---|---|
| CAS | 11003-57-9 |
| Molecular Weight (g/mol) | 526.61 |
| ChEBI | CHEBI:37628 |
| Synonym | desmosine,norleucine, 6-4-4-amino-4-carboxybutyl-3,5-bis 3-amino-3-carboxypropyl pyridinio,2-amino-6-3,5-bis 3-amino-4-hydroxy-4-oxobutyl-4-4-amino-5-hydroxy-5-oxopentyl pyridin-1-ium-1-yl hexanoic acid |
| InChI Key | VEVRNHHLCPGNDU-UHFFFAOYNA-O |
| Molecular Formula | C24H40N5O8 |
Dipotassium Dihydrogen Ethylenediaminetetraacetic Acid, 99%, Spectrum™ Chemical
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CAS: 25102-12-9
| CAS | 25102-12-9 |
|---|
alpha-D-Galactose pentaacetate
CAS: 4163-59-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose PubChem CID: 6432426 ChEBI: CHEBI:63145 IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 6432426 |
|---|---|
| CAS | 4163-59-1 |
| Molecular Weight (g/mol) | 390.34 |
| ChEBI | CHEBI:63145 |
| MDL Number | MFCD00064081 |
| SMILES | CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| Synonym | alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose |
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-UHFFFAOYNA-N |
| Molecular Formula | C16H22O11 |
2-Phenoxyacetamide, 98%
CAS: 621-88-5 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00017140 InChI Key: AOPRXJXHLWYPQR-UHFFFAOYSA-N Synonym: phenoxyacetamide,acetamide, 2-phenoxy,phenoxyacetic amide,alpha-phenoxyacetamide,2-phenoxyethanamide,2-phenoxy acetamide,pubchem12494,acmc-20ajx9,maybridge1_008727,po6 PubChem CID: 69314 IUPAC Name: 2-phenoxyacetamide SMILES: NC(=O)COC1=CC=CC=C1
| PubChem CID | 69314 |
|---|---|
| CAS | 621-88-5 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00017140 |
| SMILES | NC(=O)COC1=CC=CC=C1 |
| Synonym | phenoxyacetamide,acetamide, 2-phenoxy,phenoxyacetic amide,alpha-phenoxyacetamide,2-phenoxyethanamide,2-phenoxy acetamide,pubchem12494,acmc-20ajx9,maybridge1_008727,po6 |
| IUPAC Name | 2-phenoxyacetamide |
| InChI Key | AOPRXJXHLWYPQR-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid, 97%
CAS: 50920-65-5 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.169 MDL Number: MFCD00156147 InChI Key: VFMGOJUUTAPPDA-UHFFFAOYSA-N Synonym: 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid,1-ethyl-3-methylpyrazole-5-carboxylic acid,2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-ethyl-3-methyl,maybridge1_008579,acmc-20aovb,1-ethyl-3-methyl-1h-pyrazole-5-carboxylicacid,1-ethyl-3-methylpyrazole-5-carboxylic,1h-pyrazole-5-carboxylicacid, 1-ethyl-3-methyl PubChem CID: 2743794 IUPAC Name: 2-ethyl-5-methylpyrazole-3-carboxylic acid SMILES: CCN1C(=CC(=N1)C)C(=O)O
| PubChem CID | 2743794 |
|---|---|
| CAS | 50920-65-5 |
| Molecular Weight (g/mol) | 154.169 |
| MDL Number | MFCD00156147 |
| SMILES | CCN1C(=CC(=N1)C)C(=O)O |
| Synonym | 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid,1-ethyl-3-methylpyrazole-5-carboxylic acid,2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-ethyl-3-methyl,maybridge1_008579,acmc-20aovb,1-ethyl-3-methyl-1h-pyrazole-5-carboxylicacid,1-ethyl-3-methylpyrazole-5-carboxylic,1h-pyrazole-5-carboxylicacid, 1-ethyl-3-methyl |
| IUPAC Name | 2-ethyl-5-methylpyrazole-3-carboxylic acid |
| InChI Key | VFMGOJUUTAPPDA-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
1,2,3,4-Butanetetracarboxylic acid, 98+%
CAS: 1703-58-8 Molecular Formula: C8H10O8 Molecular Weight (g/mol): 234.16 MDL Number: MFCD00002722 InChI Key: GGAUUQHSCNMCAU-UHFFFAOYSA-N Synonym: 1,2,3,4-butanetetracarboxylic acid,butanetetracarboxylic acid,dsstox_cid_4670,dsstox_rid_77494,dsstox_gsid_24670,1,2,3,4-butanetetracarboxylic,meso-1,2,3,4-butanetetracarboxylic acid,acmc-20abw3,ksc176c1b,ggauuqhscnmcau-uhfffaoysa PubChem CID: 15560 IUPAC Name: butane-1,2,3,4-tetracarboxylic acid SMILES: C(C(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 15560 |
|---|---|
| CAS | 1703-58-8 |
| Molecular Weight (g/mol) | 234.16 |
| MDL Number | MFCD00002722 |
| SMILES | C(C(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)O |
| Synonym | 1,2,3,4-butanetetracarboxylic acid,butanetetracarboxylic acid,dsstox_cid_4670,dsstox_rid_77494,dsstox_gsid_24670,1,2,3,4-butanetetracarboxylic,meso-1,2,3,4-butanetetracarboxylic acid,acmc-20abw3,ksc176c1b,ggauuqhscnmcau-uhfffaoysa |
| IUPAC Name | butane-1,2,3,4-tetracarboxylic acid |
| InChI Key | GGAUUQHSCNMCAU-UHFFFAOYSA-N |
| Molecular Formula | C8H10O8 |