Organic acids and derivatives
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Ammonium bismuth citrate, Bi 48-52%, water ca 2%
CAS: 25530-63-6 Molecular Formula: C6H11BiNO7 Molecular Weight (g/mol): 418.134 MDL Number: MFCD00036420 InChI Key: JDINTLWFPXWXCT-UHFFFAOYSA-N Synonym: ammonium bismuth citrate PubChem CID: 87101692 IUPAC Name: azane;bismuth;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.N.[Bi]
| PubChem CID | 87101692 |
|---|---|
| CAS | 25530-63-6 |
| Molecular Weight (g/mol) | 418.134 |
| MDL Number | MFCD00036420 |
| SMILES | C(C(=O)O)C(CC(=O)O)(C(=O)O)O.N.[Bi] |
| Synonym | ammonium bismuth citrate |
| IUPAC Name | azane;bismuth;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | JDINTLWFPXWXCT-UHFFFAOYSA-N |
| Molecular Formula | C6H11BiNO7 |
3,4,6-Tri-O-benzoyl-D-glucal, 97%
CAS: 13322-90-2 Molecular Formula: C27H22O7 Molecular Weight (g/mol): 458.466 MDL Number: MFCD00061643 InChI Key: OZFFEFRJEYIEGH-SMIHKQSGSA-N Synonym: 3,4,6-tri-o-benzoyl-d-glucal,tri-o-benzoyl-d-glucal,1,2-dideoxy-d-arabino-1-hexenopyranose 3,4,6-tribenzoate,2r,3s,4r-3,4-bis benzoyloxy-3,4-dihydro-2h-pyran-2-yl methyl benzoate PubChem CID: 11134283 IUPAC Name: [(2R,3S,4R)-3,4-dibenzoyloxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
| PubChem CID | 11134283 |
|---|---|
| CAS | 13322-90-2 |
| Molecular Weight (g/mol) | 458.466 |
| MDL Number | MFCD00061643 |
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| Synonym | 3,4,6-tri-o-benzoyl-d-glucal,tri-o-benzoyl-d-glucal,1,2-dideoxy-d-arabino-1-hexenopyranose 3,4,6-tribenzoate,2r,3s,4r-3,4-bis benzoyloxy-3,4-dihydro-2h-pyran-2-yl methyl benzoate |
| IUPAC Name | [(2R,3S,4R)-3,4-dibenzoyloxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate |
| InChI Key | OZFFEFRJEYIEGH-SMIHKQSGSA-N |
| Molecular Formula | C27H22O7 |
Triethyl Citrate, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 77-93-0 Molecular Formula: C12H20O7 Molecular Weight (g/mol): 276.29 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N IUPAC Name: 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
| CAS | 77-93-0 |
|---|---|
| Molecular Weight (g/mol) | 276.29 |
| SMILES | CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC |
| IUPAC Name | 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | DOOTYTYQINUNNV-UHFFFAOYSA-N |
| Molecular Formula | C12H20O7 |
Sodium citrate, 99.8%, For ACS analysis, MP Biomedicals™
CAS: 1545801 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K Synonym: trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate PubChem CID: 71474 ChEBI: CHEBI:32142 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
| PubChem CID | 71474 |
|---|---|
| CAS | 1545801 |
| Molecular Weight (g/mol) | 294.1 |
| ChEBI | CHEBI:32142 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+] |
| Synonym | trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate |
| IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate |
| InChI Key | NLJMYIDDQXHKNR-UHFFFAOYSA-K |
| Molecular Formula | C6H9Na3O9 |
Sodium dihydrogen citrate, 99%
CAS: 18996-35-5 Molecular Formula: C6H10NaO7 Molecular Weight (g/mol): 217.129 MDL Number: MFCD00013067 InChI Key: SLWOXBQHKZPUNY-UHFFFAOYSA-N Synonym: bicitra,pneucid,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt,sodium dihydrogen citrate anhydrous,citric acid, sodium salt,citric acid sodium,sodium 2-hydroxy-1,2,3-propanetricarboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid; sodium,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt 1:? PubChem CID: 131675399 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen;sodium SMILES: [HH].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na]
| PubChem CID | 131675399 |
|---|---|
| CAS | 18996-35-5 |
| Molecular Weight (g/mol) | 217.129 |
| MDL Number | MFCD00013067 |
| SMILES | [HH].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na] |
| Synonym | bicitra,pneucid,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt,sodium dihydrogen citrate anhydrous,citric acid, sodium salt,citric acid sodium,sodium 2-hydroxy-1,2,3-propanetricarboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid; sodium,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt 1:? |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen;sodium |
| InChI Key | SLWOXBQHKZPUNY-UHFFFAOYSA-N |
| Molecular Formula | C6H10NaO7 |
Sodium Citrate, Anhydrous, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 68-04-2 |
|---|---|
| Molecular Weight (g/mol) | 258.07 |
| MDL Number | MFCD00012462 |
| SMILES | [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | trisodium 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Molecular Formula | C6H5Na3O7 |
1,3,5-Tri(4-carboxyphenyl)benzene, 97%
CAS: 50446-44-1 Molecular Formula: C27H18O6 Molecular Weight (g/mol): 438.44 MDL Number: MFCD10000888 InChI Key: SATWKVZGMWCXOJ-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-carboxyphenyl benzene,1,3,5-tri 4-carboxyphenyl benzene,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylic acid,1,1':3',1-terphenyl-4,4-dicarboxylic acid, 5'-4-carboxyphenyl,acmc-209kmn,h3btb,4,4?,4??,-benzene-1,3,5-triyl-tris benzoic acid,1,3,5-tris 4-carboxyphenyl benzene, ≤20 wt. % solvent,3',5'-bis 4-carboxyphenyl-1,1'-biphenyl-4-carboxylic acid,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylicacid PubChem CID: 10694305 IUPAC Name: 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 10694305 |
|---|---|
| CAS | 50446-44-1 |
| Molecular Weight (g/mol) | 438.44 |
| MDL Number | MFCD10000888 |
| SMILES | OC(=O)C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O |
| Synonym | 1,3,5-tris 4-carboxyphenyl benzene,1,3,5-tri 4-carboxyphenyl benzene,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylic acid,1,1':3',1-terphenyl-4,4-dicarboxylic acid, 5'-4-carboxyphenyl,acmc-209kmn,h3btb,4,4?,4??,-benzene-1,3,5-triyl-tris benzoic acid,1,3,5-tris 4-carboxyphenyl benzene, ≤20 wt. % solvent,3',5'-bis 4-carboxyphenyl-1,1'-biphenyl-4-carboxylic acid,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylicacid |
| IUPAC Name | 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid |
| InChI Key | SATWKVZGMWCXOJ-UHFFFAOYSA-N |
| Molecular Formula | C27H18O6 |
Calcium Citrate, Tetrahydrate, Powder, FCC, 97.5-100.5%, Spectrum™ Chemical
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CAS: 5785-44-4 Molecular Formula: C12H18Ca3O18 Molecular Weight (g/mol): 570.49 InChI Key: LNIZKKFWMDARJV-UHFFFAOYSA-H IUPAC Name: tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate) tetrahydrate SMILES: O.O.O.O.[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 5785-44-4 |
|---|---|
| Molecular Weight (g/mol) | 570.49 |
| SMILES | O.O.O.O.[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate) tetrahydrate |
| InChI Key | LNIZKKFWMDARJV-UHFFFAOYSA-H |
| Molecular Formula | C12H18Ca3O18 |
3,4,6-Tri-O-acetyl-D-galactal
CAS: 4098-06-0 Molecular Formula: C12H16O7 Molecular Weight (g/mol): 272.25 MDL Number: MFCD00064092 InChI Key: LLPWGHLVUPBSLP-UHFFFAOYNA-N Synonym: 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal PubChem CID: 640125 IUPAC Name: [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate SMILES: CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O
| PubChem CID | 640125 |
|---|---|
| CAS | 4098-06-0 |
| Molecular Weight (g/mol) | 272.25 |
| MDL Number | MFCD00064092 |
| SMILES | CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O |
| Synonym | 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal |
| IUPAC Name | [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate |
| InChI Key | LLPWGHLVUPBSLP-UHFFFAOYNA-N |
| Molecular Formula | C12H16O7 |
1,3,5-Benzenetricarboxylic acid, 98%
CAS: 554-95-0 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002517 InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N Synonym: trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 PubChem CID: 11138 ChEBI: CHEBI:46032 IUPAC Name: benzene-1,3,5-tricarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
| PubChem CID | 11138 |
|---|---|
| CAS | 554-95-0 |
| Molecular Weight (g/mol) | 210.14 |
| ChEBI | CHEBI:46032 |
| MDL Number | MFCD00002517 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
| Synonym | trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 |
| IUPAC Name | benzene-1,3,5-tricarboxylic acid |
| InChI Key | QMKYBPDZANOJGF-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |
Triethyl 1,1,2-ethanetricarboxylate, 99%
CAS: 7459-46-3 MDL Number: MFCD00009154 InChI Key: TVWZLLYAJDSSCJ-UHFFFAOYSA-N Synonym: triethyl 1,1,2-ethanetricarboxylate,1,1,2-ethanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-succinic acid diethyl ester,triethyl ethane tricarboxylate,1,1,2-triethyl ethane-1,1,2-tricarboxylate,triethyl ethane-1,2,2-tricarboxylate,ethane-1,1,2-tricarboxylic acid triethyl ester,ethane-1,1,2-tricarboxylic acid, triethyl ester,diethyl 2-ethoxycarbonyl butane-1,4-dioate,acmc-209ovd PubChem CID: 81961 IUPAC Name: triethyl ethane-1,1,2-tricarboxylate SMILES: CCOC(=O)CC(C(=O)OCC)C(=O)OCC
| PubChem CID | 81961 |
|---|---|
| CAS | 7459-46-3 |
| MDL Number | MFCD00009154 |
| SMILES | CCOC(=O)CC(C(=O)OCC)C(=O)OCC |
| Synonym | triethyl 1,1,2-ethanetricarboxylate,1,1,2-ethanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-succinic acid diethyl ester,triethyl ethane tricarboxylate,1,1,2-triethyl ethane-1,1,2-tricarboxylate,triethyl ethane-1,2,2-tricarboxylate,ethane-1,1,2-tricarboxylic acid triethyl ester,ethane-1,1,2-tricarboxylic acid, triethyl ester,diethyl 2-ethoxycarbonyl butane-1,4-dioate,acmc-209ovd |
| IUPAC Name | triethyl ethane-1,1,2-tricarboxylate |
| InChI Key | TVWZLLYAJDSSCJ-UHFFFAOYSA-N |
cis-Aconitic acid, tech. 85%
CAS: 585-84-2 Molecular Formula: C6H6O6 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00063184 InChI Key: GTZCVFVGUGFEME-HNQUOIGGSA-N Synonym: cis-aconitic acid,cis-aconitate,achilleic acid,citridinic acid,equisetic acid,pyrocitric acid,achilleaic acid,citridic acid,cis-aconic acid,aconitic acid PubChem CID: 643757 ChEBI: CHEBI:32805 SMILES: OC(=O)C\C(=C/C(O)=O)C(O)=O
| PubChem CID | 643757 |
|---|---|
| CAS | 585-84-2 |
| Molecular Weight (g/mol) | 174.11 |
| ChEBI | CHEBI:32805 |
| MDL Number | MFCD00063184 |
| SMILES | OC(=O)C\C(=C/C(O)=O)C(O)=O |
| Synonym | cis-aconitic acid,cis-aconitate,achilleic acid,citridinic acid,equisetic acid,pyrocitric acid,achilleaic acid,citridic acid,cis-aconic acid,aconitic acid |
| InChI Key | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Molecular Formula | C6H6O6 |
1,3,5-Tris(4-carboxyphenyl)benzene, Spectrum™ Chemical
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CAS: 50446-44-1
| CAS | 50446-44-1 |
|---|
Fasudil monohydrochloride, 99+%
CAS: 105628-07-7 Molecular Formula: C14H18ClN3O2S Molecular Weight (g/mol): 327.827 MDL Number: MFCD00943198 InChI Key: LFVPBERIVUNMGV-UHFFFAOYSA-N Synonym: fasudil hydrochloride,fasudil hcl,eril,at 877 hydrochloride,fasudil monohydrochloride,ha 1077 hydrochloride,unii-sq04n8s7br,5-1,4-diazepan-1-yl sulfonyl isoquinoline hydrochloride,sq04n8s7br PubChem CID: 163751 IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochloride SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl
| PubChem CID | 163751 |
|---|---|
| CAS | 105628-07-7 |
| Molecular Weight (g/mol) | 327.827 |
| MDL Number | MFCD00943198 |
| SMILES | C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl |
| Synonym | fasudil hydrochloride,fasudil hcl,eril,at 877 hydrochloride,fasudil monohydrochloride,ha 1077 hydrochloride,unii-sq04n8s7br,5-1,4-diazepan-1-yl sulfonyl isoquinoline hydrochloride,sq04n8s7br |
| IUPAC Name | 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochloride |
| InChI Key | LFVPBERIVUNMGV-UHFFFAOYSA-N |
| Molecular Formula | C14H18ClN3O2S |
Benzenesulfonic acid isopropyl ester, 95%
CAS: 6214-18-2 Molecular Formula: C9H12O3S Molecular Weight (g/mol): 200.252 MDL Number: MFCD04038771 InChI Key: YQZZXXKFKTWDPY-UHFFFAOYSA-N PubChem CID: 12441430 IUPAC Name: propan-2-yl benzenesulfonate SMILES: CC(C)OS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 12441430 |
|---|---|
| CAS | 6214-18-2 |
| Molecular Weight (g/mol) | 200.252 |
| MDL Number | MFCD04038771 |
| SMILES | CC(C)OS(=O)(=O)C1=CC=CC=C1 |
| IUPAC Name | propan-2-yl benzenesulfonate |
| InChI Key | YQZZXXKFKTWDPY-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3S |