Organic acids and derivatives
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2-Mercaptopropionic acid, 97%
CAS: 79-42-5 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004862 InChI Key: PMNLUUOXGOOLSP-UHFFFAOYNA-N Synonym: 2-mercaptopropionic acid,thiolactic acid,2-mercaptopropanoic acid,2-thiolactic acid,2-thiolpropionic acid,alpha-mercaptopropionic acid,alpha-mercaptopropanoic acid,propionic acid, 2-mercapto,propanoic acid, 2-mercapto,fema no. 3180 PubChem CID: 62326 ChEBI: CHEBI:47872 IUPAC Name: 2-sulfanylpropanoic acid SMILES: CC(S)C(O)=O
| PubChem CID | 62326 |
|---|---|
| CAS | 79-42-5 |
| Molecular Weight (g/mol) | 106.14 |
| ChEBI | CHEBI:47872 |
| MDL Number | MFCD00004862 |
| SMILES | CC(S)C(O)=O |
| Synonym | 2-mercaptopropionic acid,thiolactic acid,2-mercaptopropanoic acid,2-thiolactic acid,2-thiolpropionic acid,alpha-mercaptopropionic acid,alpha-mercaptopropanoic acid,propionic acid, 2-mercapto,propanoic acid, 2-mercapto,fema no. 3180 |
| IUPAC Name | 2-sulfanylpropanoic acid |
| InChI Key | PMNLUUOXGOOLSP-UHFFFAOYNA-N |
| Molecular Formula | C3H6O2S |
Acethydrazide, 95%
CAS: 1068-57-1 Molecular Formula: C2H6N2O Molecular Weight (g/mol): 74.08 MDL Number: MFCD00007610 InChI Key: OFLXLNCGODUUOT-UHFFFAOYSA-N Synonym: acethydrazide,acetylhydrazine,acetic hydrazide,acetic acid hydrazide,acetyl hydrazide,monoacetylhydrazine,n-acetylhydrazine,ethanehydrazonic acid,acetic acid, hydrazide,acetyl hydrazine PubChem CID: 14039 ChEBI: CHEBI:48978 IUPAC Name: acetohydrazide SMILES: CC(=O)NN
| PubChem CID | 14039 |
|---|---|
| CAS | 1068-57-1 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:48978 |
| MDL Number | MFCD00007610 |
| SMILES | CC(=O)NN |
| Synonym | acethydrazide,acetylhydrazine,acetic hydrazide,acetic acid hydrazide,acetyl hydrazide,monoacetylhydrazine,n-acetylhydrazine,ethanehydrazonic acid,acetic acid, hydrazide,acetyl hydrazine |
| IUPAC Name | acetohydrazide |
| InChI Key | OFLXLNCGODUUOT-UHFFFAOYSA-N |
| Molecular Formula | C2H6N2O |
Indole-6-boronic acid, 98%
CAS: 147621-18-9 Molecular Formula: C8H8BNO2 Molecular Weight (g/mol): 160.97 MDL Number: MFCD03095176 InChI Key: ZVMHOIWRCCZGPZ-UHFFFAOYSA-N Synonym: indole-6-boronic acid,6-indolylboronic acid,1h-indol-6-yl boronic acid,6-indoleboronic acid,indole-6-boronicacid,1h-indol-6-yl-6-boronic acid,6-borono-1h-indole,6-indole boronic acid,6-boronoindole,1h-indole-6-boronic acid PubChem CID: 2763205 IUPAC Name: 1H-indol-6-ylboronic acid SMILES: OB(O)C1=CC=C2C=CNC2=C1
| PubChem CID | 2763205 |
|---|---|
| CAS | 147621-18-9 |
| Molecular Weight (g/mol) | 160.97 |
| MDL Number | MFCD03095176 |
| SMILES | OB(O)C1=CC=C2C=CNC2=C1 |
| Synonym | indole-6-boronic acid,6-indolylboronic acid,1h-indol-6-yl boronic acid,6-indoleboronic acid,indole-6-boronicacid,1h-indol-6-yl-6-boronic acid,6-borono-1h-indole,6-indole boronic acid,6-boronoindole,1h-indole-6-boronic acid |
| IUPAC Name | 1H-indol-6-ylboronic acid |
| InChI Key | ZVMHOIWRCCZGPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8BNO2 |
H-7 dihydrochloride, Thermo Scientific Chemicals
CAS: 108930-17-2 Molecular Formula: C14H19Cl2N3O2S Molecular Weight (g/mol): 364.285 MDL Number: MFCD00036961 InChI Key: OARGPFMFRLLKPF-UHFFFAOYSA-N Synonym: h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride PubChem CID: 73332 ChEBI: CHEBI:82739 IUPAC Name: 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride SMILES: CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
| PubChem CID | 73332 |
|---|---|
| CAS | 108930-17-2 |
| Molecular Weight (g/mol) | 364.285 |
| ChEBI | CHEBI:82739 |
| MDL Number | MFCD00036961 |
| SMILES | CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl |
| Synonym | h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride |
| IUPAC Name | 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride |
| InChI Key | OARGPFMFRLLKPF-UHFFFAOYSA-N |
| Molecular Formula | C14H19Cl2N3O2S |
2-Mercaptoethane sulfonic acid sodium salt, 96%
CAS: 19767-45-4 Molecular Formula: C2H5NaO3S2 Molecular Weight (g/mol): 164.169 MDL Number: MFCD00007535 InChI Key: XOGTZOOQQBDUSI-UHFFFAOYSA-M Synonym: mesna,sodium 2-mercaptoethanesulfonate,mesnex,uromitexan,mitexan,2-mercaptoethanesulfonic acid sodium salt,mistabron,mesnum,mistabronco,mucofluid PubChem CID: 23662354 IUPAC Name: sodium;2-sulfanylethanesulfonate SMILES: C(CS(=O)(=O)[O-])S.[Na+]
| PubChem CID | 23662354 |
|---|---|
| CAS | 19767-45-4 |
| Molecular Weight (g/mol) | 164.169 |
| MDL Number | MFCD00007535 |
| SMILES | C(CS(=O)(=O)[O-])S.[Na+] |
| Synonym | mesna,sodium 2-mercaptoethanesulfonate,mesnex,uromitexan,mitexan,2-mercaptoethanesulfonic acid sodium salt,mistabron,mesnum,mistabronco,mucofluid |
| IUPAC Name | sodium;2-sulfanylethanesulfonate |
| InChI Key | XOGTZOOQQBDUSI-UHFFFAOYSA-M |
| Molecular Formula | C2H5NaO3S2 |
Domperidone
CAS: 57808-66-9 Molecular Formula: C22H24ClN5O2 Molecular Weight (g/mol): 425.917 MDL Number: MFCD00069256 InChI Key: FGXWKSZFVQUSTL-UHFFFAOYSA-N Synonym: domperidone,motilium,nauzelin,domperidonum,domperidona,domperidon,domperidonum inn-latin,domperidona inn-spanish,motillium,motinorm PubChem CID: 3151 ChEBI: CHEBI:31515 IUPAC Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
| PubChem CID | 3151 |
|---|---|
| CAS | 57808-66-9 |
| Molecular Weight (g/mol) | 425.917 |
| ChEBI | CHEBI:31515 |
| MDL Number | MFCD00069256 |
| SMILES | C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O |
| Synonym | domperidone,motilium,nauzelin,domperidonum,domperidona,domperidon,domperidonum inn-latin,domperidona inn-spanish,motillium,motinorm |
| IUPAC Name | 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one |
| InChI Key | FGXWKSZFVQUSTL-UHFFFAOYSA-N |
| Molecular Formula | C22H24ClN5O2 |
Benzimidazole-5-carboxylic acid, 98%
CAS: 15788-16-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00011555 InChI Key: COYPLDIXZODDDL-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid PubChem CID: 459456 SMILES: OC(=O)C1=CC=C2N=CNC2=C1
| PubChem CID | 459456 |
|---|---|
| CAS | 15788-16-6 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00011555 |
| SMILES | OC(=O)C1=CC=C2N=CNC2=C1 |
| Synonym | 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid |
| InChI Key | COYPLDIXZODDDL-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
4-Carboxybenzeneboronic acid, 97%
CAS: 14047-29-1 Molecular Formula: C7H7BO4 Molecular Weight (g/mol): 165.94 MDL Number: MFCD00151801 InChI Key: SIAVMDKGVRXFAX-UHFFFAOYSA-N Synonym: 4-carboxyphenylboronic acid,4-carboxybenzeneboronic acid,4-dihydroxyboranyl benzoic acid,benzoic acid, 4-borono,4-dihydroxyboryl benzoic acid,p-carboxyphenylboronic acid,4-phenylester boronic acid,4-carboxyphenyl boronic acid,chembl82324 PubChem CID: 312183 IUPAC Name: 4-boronobenzoic acid SMILES: OB(O)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 312183 |
|---|---|
| CAS | 14047-29-1 |
| Molecular Weight (g/mol) | 165.94 |
| MDL Number | MFCD00151801 |
| SMILES | OB(O)C1=CC=C(C=C1)C(O)=O |
| Synonym | 4-carboxyphenylboronic acid,4-carboxybenzeneboronic acid,4-dihydroxyboranyl benzoic acid,benzoic acid, 4-borono,4-dihydroxyboryl benzoic acid,p-carboxyphenylboronic acid,4-phenylester boronic acid,4-carboxyphenyl boronic acid,chembl82324 |
| IUPAC Name | 4-boronobenzoic acid |
| InChI Key | SIAVMDKGVRXFAX-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO4 |
| CAS | 6282-02-6 |
|---|---|
| MDL Number | MFCD00014415 |
DL-Carnitine hydrochloride, 98+%
CAS: 461-05-2 Molecular Formula: C7H17ClNO3+ Molecular Weight (g/mol): 198.667 MDL Number: MFCD00011904 InChI Key: JXXCENBLGFBQJM-UHFFFAOYSA-O Synonym: dl-carnitine hydrochloride,3-carboxy-2-hydroxypropyl-trimethylammonium hydrochloride,2,4-bis oxidanyl-4-oxidanylidene-butyl-trimethyl-azanium hydrochloride PubChem CID: 24206429 IUPAC Name: (3-carboxy-2-hydroxypropyl)-trimethylazanium;hydrochloride SMILES: C[N+](C)(C)CC(CC(=O)O)O.Cl
| PubChem CID | 24206429 |
|---|---|
| CAS | 461-05-2 |
| Molecular Weight (g/mol) | 198.667 |
| MDL Number | MFCD00011904 |
| SMILES | C[N+](C)(C)CC(CC(=O)O)O.Cl |
| Synonym | dl-carnitine hydrochloride,3-carboxy-2-hydroxypropyl-trimethylammonium hydrochloride,2,4-bis oxidanyl-4-oxidanylidene-butyl-trimethyl-azanium hydrochloride |
| IUPAC Name | (3-carboxy-2-hydroxypropyl)-trimethylazanium;hydrochloride |
| InChI Key | JXXCENBLGFBQJM-UHFFFAOYSA-O |
| Molecular Formula | C7H17ClNO3+ |
1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 97+%
CAS: 761446-44-0 Molecular Formula: C10H17BN2O2 Molecular Weight (g/mol): 208.07 MDL Number: MFCD03789259 InChI Key: UCNGGGYMLHAMJG-UHFFFAOYSA-N Synonym: 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-methylpyrazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-methyl-1h-pyrazole-4-boronic acid pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-methyl-pyrazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-methyl-4-pyrazoleboronic acid pinacol ester PubChem CID: 2773987 SMILES: CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2773987 |
|---|---|
| CAS | 761446-44-0 |
| Molecular Weight (g/mol) | 208.07 |
| MDL Number | MFCD03789259 |
| SMILES | CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-methylpyrazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-methyl-1h-pyrazole-4-boronic acid pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-methyl-pyrazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-methyl-4-pyrazoleboronic acid pinacol ester |
| InChI Key | UCNGGGYMLHAMJG-UHFFFAOYSA-N |
| Molecular Formula | C10H17BN2O2 |
8-Octanolactam, 98%
CAS: 935-30-8 Molecular Formula: C8H15NO Molecular Weight (g/mol): 141.214 MDL Number: MFCD00003273 InChI Key: YDLSUFFXJYEVHW-UHFFFAOYSA-N Synonym: 2-azacyclononanone,caprylolactam,capryllactam,azacyclononan-2-one,8-octanelactam,8-aminooctanoic acid lactam,2-perhydroazoninone,2h-azonin-2-one, octahydro,cyclooctanone lactam,octamethylenimine, 2-oxo PubChem CID: 13632 IUPAC Name: azonan-2-one SMILES: C1CCCC(=O)NCCC1
| PubChem CID | 13632 |
|---|---|
| CAS | 935-30-8 |
| Molecular Weight (g/mol) | 141.214 |
| MDL Number | MFCD00003273 |
| SMILES | C1CCCC(=O)NCCC1 |
| Synonym | 2-azacyclononanone,caprylolactam,capryllactam,azacyclononan-2-one,8-octanelactam,8-aminooctanoic acid lactam,2-perhydroazoninone,2h-azonin-2-one, octahydro,cyclooctanone lactam,octamethylenimine, 2-oxo |
| IUPAC Name | azonan-2-one |
| InChI Key | YDLSUFFXJYEVHW-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO |
Sodium methanesulfonate, 98%
CAS: 2386-57-4 Molecular Formula: CH3NaO3S Molecular Weight (g/mol): 118.082 MDL Number: MFCD00064389 InChI Key: KKVTYAVXTDIPAP-UHFFFAOYSA-M Synonym: sodium methanesulfonate,methanesulfonic acid sodium salt,methanesulfonic acid, sodium salt,sodium methanesulphonate,sodium mesylate,methylsulfonic acid sodium salt,75-75-2 parent,sodium methyl sulfonate,methanesulfonic acid, sodium salt 1:1,sodium methylsulfonate PubChem CID: 638112 IUPAC Name: sodium;methanesulfonate SMILES: CS(=O)(=O)[O-].[Na+]
| PubChem CID | 638112 |
|---|---|
| CAS | 2386-57-4 |
| Molecular Weight (g/mol) | 118.082 |
| MDL Number | MFCD00064389 |
| SMILES | CS(=O)(=O)[O-].[Na+] |
| Synonym | sodium methanesulfonate,methanesulfonic acid sodium salt,methanesulfonic acid, sodium salt,sodium methanesulphonate,sodium mesylate,methylsulfonic acid sodium salt,75-75-2 parent,sodium methyl sulfonate,methanesulfonic acid, sodium salt 1:1,sodium methylsulfonate |
| IUPAC Name | sodium;methanesulfonate |
| InChI Key | KKVTYAVXTDIPAP-UHFFFAOYSA-M |
| Molecular Formula | CH3NaO3S |
2-Cyanophenylboronic acid, 98%
CAS: 138642-62-3 Molecular Formula: C7H6BNO2 Molecular Weight (g/mol): 146.94 MDL Number: MFCD01632208 InChI Key: NPLZNDDFVCGRAG-UHFFFAOYSA-N Synonym: 2-cyanophenyl boronic acid,2-cyanobenzeneboronic acid,2-cyanophenylboric acid,2-cyanophenylboronicacid,2-dihydroxyboranyl benzonitrile,boronic acid, b-2-cyanophenyl,2-boronobenzonitrile,2-cyanobenzene boronic acid,2-cyano-phenyl-boronic acid,boronic acid, cyanophenyl PubChem CID: 2734610 IUPAC Name: (2-cyanophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C#N
| PubChem CID | 2734610 |
|---|---|
| CAS | 138642-62-3 |
| Molecular Weight (g/mol) | 146.94 |
| MDL Number | MFCD01632208 |
| SMILES | OB(O)C1=CC=CC=C1C#N |
| Synonym | 2-cyanophenyl boronic acid,2-cyanobenzeneboronic acid,2-cyanophenylboric acid,2-cyanophenylboronicacid,2-dihydroxyboranyl benzonitrile,boronic acid, b-2-cyanophenyl,2-boronobenzonitrile,2-cyanobenzene boronic acid,2-cyano-phenyl-boronic acid,boronic acid, cyanophenyl |
| IUPAC Name | (2-cyanophenyl)boronic acid |
| InChI Key | NPLZNDDFVCGRAG-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO2 |