Organoheterocyclic compounds
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Isonicotinic anhydride, 90%, remainder picolinic and nicotinic acid-anhydride
CAS: 7082-71-5 Molecular Formula: C12H8N2O3 Molecular Weight (g/mol): 228.2 MDL Number: MFCD00062784 InChI Key: ORBIGZZHMAJXAZ-UHFFFAOYSA-N Synonym: isonicotinic anhydride,isonictinic anhydride,acmc-1bcxw,isonicotinic acid anhydride,bis 4-pyridinecarboxylic anhydride,4-pyridinecarboxylicacid, anhydride with 4-pyridinecarboxylic acid,4-pyridinecarboxylic acid anhydride; pyridine-4-carboxylic acid anhydride PubChem CID: 81529 IUPAC Name: pyridine-4-carbonyl pyridine-4-carboxylate SMILES: C1=CN=CC=C1C(=O)OC(=O)C2=CC=NC=C2
| PubChem CID | 81529 |
|---|---|
| CAS | 7082-71-5 |
| Molecular Weight (g/mol) | 228.2 |
| MDL Number | MFCD00062784 |
| SMILES | C1=CN=CC=C1C(=O)OC(=O)C2=CC=NC=C2 |
| Synonym | isonicotinic anhydride,isonictinic anhydride,acmc-1bcxw,isonicotinic acid anhydride,bis 4-pyridinecarboxylic anhydride,4-pyridinecarboxylicacid, anhydride with 4-pyridinecarboxylic acid,4-pyridinecarboxylic acid anhydride; pyridine-4-carboxylic acid anhydride |
| IUPAC Name | pyridine-4-carbonyl pyridine-4-carboxylate |
| InChI Key | ORBIGZZHMAJXAZ-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2O3 |
4-Phenyl-4-piperidinecarboxylic acid p-methylbenzenesulfonate, 98%
CAS: 83949-32-0 Molecular Formula: C12H15NO2·C7H8O3S Molecular Weight (g/mol): 377.45 MDL Number: MFCD00044709 InChI Key: NQLZTDKDXBKUGY-UHFFFAOYSA-N Synonym: 4-methylbenzene-1-sulfonic acid; 4-phenylpiperidine-4-carboxylic acid,4-carboxy-4-phenylpiperidine tosylate,4-phenylpiperidine-4-carboxylic acid compound with 4-methylbenzenesulfonic acid 1:1,4-phenyl-4-piperidinecarboxylic acid p-methylbenzenesulfonate,4-phenyl-4-piperidinecarboxylic acid 4-methylbenzenesulfonate,4-phenylpiperidine-4-carboxylic acid 4-toluenesulfonate,isonipecotic acid, 4-phenyl-; para-toluene sulfonate,4-phenyl-4-carboxy piperidine tosylate,4-carboxy-4-phenylpiperidine p-toluenesulfonate,4-phenyl-piperidine-4-carboxylic acid tosylate PubChem CID: 2723657 IUPAC Name: 4-methylbenzenesulfonic acid;4-phenylpiperidine-4-carboxylic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C(=O)O
| PubChem CID | 2723657 |
|---|---|
| CAS | 83949-32-0 |
| Molecular Weight (g/mol) | 377.45 |
| MDL Number | MFCD00044709 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C(=O)O |
| Synonym | 4-methylbenzene-1-sulfonic acid; 4-phenylpiperidine-4-carboxylic acid,4-carboxy-4-phenylpiperidine tosylate,4-phenylpiperidine-4-carboxylic acid compound with 4-methylbenzenesulfonic acid 1:1,4-phenyl-4-piperidinecarboxylic acid p-methylbenzenesulfonate,4-phenyl-4-piperidinecarboxylic acid 4-methylbenzenesulfonate,4-phenylpiperidine-4-carboxylic acid 4-toluenesulfonate,isonipecotic acid, 4-phenyl-; para-toluene sulfonate,4-phenyl-4-carboxy piperidine tosylate,4-carboxy-4-phenylpiperidine p-toluenesulfonate,4-phenyl-piperidine-4-carboxylic acid tosylate |
| IUPAC Name | 4-methylbenzenesulfonic acid;4-phenylpiperidine-4-carboxylic acid |
| InChI Key | NQLZTDKDXBKUGY-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO2·C7H8O3S |
Bicinchoninic acid disodium salt
CAS: 979-88-4 Molecular Formula: C20H10N2Na2O4 Molecular Weight (g/mol): 388.29 MDL Number: MFCD00037500 InChI Key: AUPXFICLXPLHBB-UHFFFAOYSA-L Synonym: sodium 2,2'-biquinoline-4,4'-dicarboxylate,2,2'-biquinoline-4,4-dicarboxylic acid disodium salt,2,2'-biquinoline-4,4'-dicarboxylic acid, disodium salt,sodium bicinchoninate,2,2'-biquinoline-4,4'-dicarboxylic acid disodium salt,disodium 2,2'-biquinoline-4,4'-dicarboxylate,bicinchoninic acid disodium salt,bca,2,2'-biquinoline-4,4'-dicarboxylic acid, sodium salt 1:2 PubChem CID: 164763 SMILES: [Na+].[Na+].[O-]C(=O)C1=C2C=CC=CC2=NC(=C1)C1=CC(C([O-])=O)=C2C=CC=CC2=N1
| PubChem CID | 164763 |
|---|---|
| CAS | 979-88-4 |
| Molecular Weight (g/mol) | 388.29 |
| MDL Number | MFCD00037500 |
| SMILES | [Na+].[Na+].[O-]C(=O)C1=C2C=CC=CC2=NC(=C1)C1=CC(C([O-])=O)=C2C=CC=CC2=N1 |
| Synonym | sodium 2,2'-biquinoline-4,4'-dicarboxylate,2,2'-biquinoline-4,4-dicarboxylic acid disodium salt,2,2'-biquinoline-4,4'-dicarboxylic acid, disodium salt,sodium bicinchoninate,2,2'-biquinoline-4,4'-dicarboxylic acid disodium salt,disodium 2,2'-biquinoline-4,4'-dicarboxylate,bicinchoninic acid disodium salt,bca,2,2'-biquinoline-4,4'-dicarboxylic acid, sodium salt 1:2 |
| InChI Key | AUPXFICLXPLHBB-UHFFFAOYSA-L |
| Molecular Formula | C20H10N2Na2O4 |
Barbituric acid, 99%
CAS: 67-52-7 Molecular Formula: C4H4N2O3 Molecular Weight (g/mol): 128.09 MDL Number: MFCD00006666 InChI Key: HNYOPLTXPVRDBG-UHFFFAOYSA-N Synonym: barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff PubChem CID: 6211 ChEBI: CHEBI:16294 IUPAC Name: 1,3-diazinane-2,4,6-trione SMILES: O=C1CC(=O)NC(=O)N1
| PubChem CID | 6211 |
|---|---|
| CAS | 67-52-7 |
| Molecular Weight (g/mol) | 128.09 |
| ChEBI | CHEBI:16294 |
| MDL Number | MFCD00006666 |
| SMILES | O=C1CC(=O)NC(=O)N1 |
| Synonym | barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff |
| IUPAC Name | 1,3-diazinane-2,4,6-trione |
| InChI Key | HNYOPLTXPVRDBG-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O3 |
Nicotinic acid, 99%
CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Synonym: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1
| PubChem CID | 938 |
|---|---|
| CAS | 59-67-6 |
| Molecular Weight (g/mol) | 123.11 |
| ChEBI | CHEBI:15940 |
| MDL Number | MFCD00006391 |
| SMILES | OC(=O)C1=CC=CN=C1 |
| Synonym | nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil |
| IUPAC Name | pyridine-3-carboxylic acid |
| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2 |
Gibberellic acid, 98%
CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
| PubChem CID | 91757643 |
|---|---|
| CAS | 77-06-5 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00079329 |
| SMILES | CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |
| Synonym | gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid |
| InChI Key | IXORZMNAPKEEDV-QTWFBFKQSA-N |
| Molecular Formula | C19H22O6 |
Pyrimidine free base 98.0+%, TCI America™
CAS: 289-95-2 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006059 InChI Key: CZPWVGJYEJSRLH-UHFFFAOYSA-N Synonym: 1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l PubChem CID: 9260 ChEBI: CHEBI:16898 IUPAC Name: pyrimidine SMILES: C1=CN=CN=C1
| PubChem CID | 9260 |
|---|---|
| CAS | 289-95-2 |
| Molecular Weight (g/mol) | 80.09 |
| ChEBI | CHEBI:16898 |
| MDL Number | MFCD00006059 |
| SMILES | C1=CN=CN=C1 |
| Synonym | 1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l |
| IUPAC Name | pyrimidine |
| InChI Key | CZPWVGJYEJSRLH-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2 |
Nalidixic acid sodium salt
CAS: 5-8-3374 Molecular Formula: C12H11N2NaO3 Molecular Weight (g/mol): 254.22 MDL Number: MFCD00064376 InChI Key: ROKRAUFZFDQWLE-UHFFFAOYSA-M Synonym: nalidixic acid sodium salt,baktogram,nalidixic acid sodium,sodium nalidixate,chemiurin,dixilina,nalidixate sodium anhydrous,nalidixate sodium,nalidixate sodium anhydrous usan,1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid sodium salt PubChem CID: 3864541 IUPAC Name: sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].[Na+]
| PubChem CID | 3864541 |
|---|---|
| CAS | 5-8-3374 |
| Molecular Weight (g/mol) | 254.22 |
| MDL Number | MFCD00064376 |
| SMILES | CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].[Na+] |
| Synonym | nalidixic acid sodium salt,baktogram,nalidixic acid sodium,sodium nalidixate,chemiurin,dixilina,nalidixate sodium anhydrous,nalidixate sodium,nalidixate sodium anhydrous usan,1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid sodium salt |
| IUPAC Name | sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate |
| InChI Key | ROKRAUFZFDQWLE-UHFFFAOYSA-M |
| Molecular Formula | C12H11N2NaO3 |
Nalidixic acid, 99%
CAS: 389-08-2 Molecular Formula: C12H12N2O3 Molecular Weight (g/mol): 232.239 MDL Number: MFCD00006884 InChI Key: MHWLWQUZZRMNGJ-UHFFFAOYSA-N Synonym: nalidixic acid,nalidixin,nevigramon,nalidixate,uronidix,innoxalon,nalidixan,nalitucsan,sicmylon,unaserus PubChem CID: 4421 ChEBI: CHEBI:100147 IUPAC Name: 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O
| PubChem CID | 4421 |
|---|---|
| CAS | 389-08-2 |
| Molecular Weight (g/mol) | 232.239 |
| ChEBI | CHEBI:100147 |
| MDL Number | MFCD00006884 |
| SMILES | CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O |
| Synonym | nalidixic acid,nalidixin,nevigramon,nalidixate,uronidix,innoxalon,nalidixan,nalitucsan,sicmylon,unaserus |
| IUPAC Name | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid |
| InChI Key | MHWLWQUZZRMNGJ-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O3 |
Gibberellic acid, 99%
CAS: 77-06-5 Molecular Formula: C19H22O6 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00079329 InChI Key: IXORZMNAPKEEDV-QTWFBFKQSA-N Synonym: gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs PubChem CID: 91757643 IUPAC Name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid SMILES: CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
| PubChem CID | 91757643 |
|---|---|
| CAS | 77-06-5 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00079329 |
| SMILES | CC12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |
| Synonym | gibberellic acid,gibberellin a3,gibberellin,gibreskol,brellin,cekugib,grocel,gibberellin x,gibberellic acid ga3,gib-tabs |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid |
| InChI Key | IXORZMNAPKEEDV-QTWFBFKQSA-N |
| Molecular Formula | C19H22O6 |
(-)-Cinchonidine, 99% (total base), may cont. up to 5% quinine
CAS: 485-71-2 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00006783 InChI Key: KMPWYEUPVWOPIM-UHFFFAOYNA-N Synonym: cinchonidine PubChem CID: 45358337 SMILES: OC(C1CC2CCN1CC2C=C)C1=C2C=CC=CC2=NC=C1
| PubChem CID | 45358337 |
|---|---|
| CAS | 485-71-2 |
| Molecular Weight (g/mol) | 294.40 |
| MDL Number | MFCD00006783 |
| SMILES | OC(C1CC2CCN1CC2C=C)C1=C2C=CC=CC2=NC=C1 |
| Synonym | cinchonidine |
| InChI Key | KMPWYEUPVWOPIM-UHFFFAOYNA-N |
| Molecular Formula | C19H22N2O |
Picolinic acid, 99%
CAS: 98-98-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006293 InChI Key: SIOXPEMLGUPBBT-UHFFFAOYSA-N Synonym: picolinic acid,2-pyridinecarboxylic acid,2-picolinic acid,2-carboxypyridine,alpha-picolinic acid,o-pyridinecarboxylic acid,pyridinecarboxylic acid,alpha-pyridinecarboxylic acid,picolinate,acide picolique PubChem CID: 1018 ChEBI: CHEBI:28747 IUPAC Name: pyridine-2-carboxylic acid SMILES: C1=CC=NC(=C1)C(=O)O
| PubChem CID | 1018 |
|---|---|
| CAS | 98-98-6 |
| Molecular Weight (g/mol) | 123.11 |
| ChEBI | CHEBI:28747 |
| MDL Number | MFCD00006293 |
| SMILES | C1=CC=NC(=C1)C(=O)O |
| Synonym | picolinic acid,2-pyridinecarboxylic acid,2-picolinic acid,2-carboxypyridine,alpha-picolinic acid,o-pyridinecarboxylic acid,pyridinecarboxylic acid,alpha-pyridinecarboxylic acid,picolinate,acide picolique |
| IUPAC Name | pyridine-2-carboxylic acid |
| InChI Key | SIOXPEMLGUPBBT-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2 |
Trichloroisocyanuric acid, 99%
CAS: 87-90-1 Molecular Formula: C3Cl3N3O3 Molecular Weight (g/mol): 232.40 MDL Number: MFCD00006553 InChI Key: YRIZYWQGELRKNT-UHFFFAOYSA-N Synonym: trichloroisocyanuric acid,symclosene,trichlorocyanuric acid,symclosen,isocyanuric chloride,fichlor 91,trichloro-s-triazinetrione,trichloroisocyanic acid,fi clor 91,chloreal PubChem CID: 6909 ChEBI: CHEBI:33015 SMILES: ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O
| PubChem CID | 6909 |
|---|---|
| CAS | 87-90-1 |
| Molecular Weight (g/mol) | 232.40 |
| ChEBI | CHEBI:33015 |
| MDL Number | MFCD00006553 |
| SMILES | ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O |
| Synonym | trichloroisocyanuric acid,symclosene,trichlorocyanuric acid,symclosen,isocyanuric chloride,fichlor 91,trichloro-s-triazinetrione,trichloroisocyanic acid,fi clor 91,chloreal |
| InChI Key | YRIZYWQGELRKNT-UHFFFAOYSA-N |
| Molecular Formula | C3Cl3N3O3 |
Isophthalic acid, 99%
CAS: 121-91-5 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 MDL Number: MFCD00002516 InChI Key: QQVIHTHCMHWDBS-UHFFFAOYSA-N Synonym: isophthalic acid,1,3-benzenedicarboxylic acid,m-phthalic acid,m-benzenedicarboxylic acid,acide isophtalique,kyselina isoftalova,iso-phthalic acid,acide isophtalique french,kyselina isoftalova czech,unii-x35216h9fj PubChem CID: 8496 ChEBI: CHEBI:30802 IUPAC Name: benzene-1,3-dicarboxylic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C(=O)O
| PubChem CID | 8496 |
|---|---|
| CAS | 121-91-5 |
| Molecular Weight (g/mol) | 166.132 |
| ChEBI | CHEBI:30802 |
| MDL Number | MFCD00002516 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C(=O)O |
| Synonym | isophthalic acid,1,3-benzenedicarboxylic acid,m-phthalic acid,m-benzenedicarboxylic acid,acide isophtalique,kyselina isoftalova,iso-phthalic acid,acide isophtalique french,kyselina isoftalova czech,unii-x35216h9fj |
| IUPAC Name | benzene-1,3-dicarboxylic acid |
| InChI Key | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |
Indole-3-butyric acid, 98%
CAS: 133-32-4 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00005664 InChI Key: JTEDVYBZBROSJT-UHFFFAOYSA-N Synonym: indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid PubChem CID: 8617 ChEBI: CHEBI:33070 IUPAC Name: 4-(1H-indol-3-yl)butanoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
| PubChem CID | 8617 |
|---|---|
| CAS | 133-32-4 |
| Molecular Weight (g/mol) | 203.241 |
| ChEBI | CHEBI:33070 |
| MDL Number | MFCD00005664 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O |
| Synonym | indole-3-butyric acid,3-indolebutyric acid,4-1h-indol-3-yl butanoic acid,indolebutyric acid,hormodin,1h-indole-3-butanoic acid,seradix,indole-3-butanoic acid,jiffy grow,4-indol-3-yl butyric acid |
| IUPAC Name | 4-(1H-indol-3-yl)butanoic acid |
| InChI Key | JTEDVYBZBROSJT-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO2 |