Organoheterocyclic compounds
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7-Hydroxy Amoxapine, TRC
CAS: 37081-76-8 Molecular Weight (g/mol): 329.78 IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-2-ol SMILES: Oc1ccc2N=C(N3CCNCC3)c4cc(Cl)ccc4Oc2c1
| CAS | 37081-76-8 |
|---|---|
| Molecular Weight (g/mol) | 329.78 |
| SMILES | Oc1ccc2N=C(N3CCNCC3)c4cc(Cl)ccc4Oc2c1 |
| IUPAC Name | 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-2-ol |
Thermo Scientific Chemicals DL-Thioctic Acid, 98+%
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| PubChem CID | 864 |
|---|---|
| CAS | 1077-28-7 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:16494 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| Synonym | dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid |
| IUPAC Name | 5-(dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
Isonicotinic acid, 99%
CAS: 55-22-1 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 InChI Key: TWBYWOBDOCUKOW-UHFFFAOYSA-N Synonym: isonicotinic acid,4-pyridinecarboxylic acid,4-picolinic acid,4-carboxypyridine,p-pyridinecarboxylic acid,gamma-picolinic acid,gamma-pyridinecarboxylic acid,acide iso-nicotinique,1,4-dihydroisonicotinic acid,acide iso-nicotinique french PubChem CID: 5922 ChEBI: CHEBI:6032 IUPAC Name: pyridine-4-carboxylic acid SMILES: C1=CN=CC=C1C(=O)O
| PubChem CID | 5922 |
|---|---|
| CAS | 55-22-1 |
| Molecular Weight (g/mol) | 123.11 |
| ChEBI | CHEBI:6032 |
| SMILES | C1=CN=CC=C1C(=O)O |
| Synonym | isonicotinic acid,4-pyridinecarboxylic acid,4-picolinic acid,4-carboxypyridine,p-pyridinecarboxylic acid,gamma-picolinic acid,gamma-pyridinecarboxylic acid,acide iso-nicotinique,1,4-dihydroisonicotinic acid,acide iso-nicotinique french |
| IUPAC Name | pyridine-4-carboxylic acid |
| InChI Key | TWBYWOBDOCUKOW-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO2 |
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 |
Isophthalic acid, 99%
CAS: 121-91-5 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 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) | 166.13 |
| 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 |
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 |
Bathocuproinedisulfonic acid, disodium salt hydrate, 97%
CAS: 1257642-74-2 Molecular Formula: C26H18N2Na2O6S2 Molecular Weight (g/mol): 564.54 MDL Number: MFCD00149974 InChI Key: RNGKZLRAVYPLJC-UHFFFAOYSA-L Synonym: disodium bathocuproinedisulfonate,sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,bathocuproinedisulfonic acid sodium salt,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate disodium salt,dipotassium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate PubChem CID: 15678335 IUPAC Name: disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate SMILES: [Na+].[Na+].CC1=NC2=C(C=CC3=C2N=C(C)C(=C3C2=CC=CC=C2)S([O-])(=O)=O)C(C2=CC=CC=C2)=C1S([O-])(=O)=O
| PubChem CID | 15678335 |
|---|---|
| CAS | 1257642-74-2 |
| Molecular Weight (g/mol) | 564.54 |
| MDL Number | MFCD00149974 |
| SMILES | [Na+].[Na+].CC1=NC2=C(C=CC3=C2N=C(C)C(=C3C2=CC=CC=C2)S([O-])(=O)=O)C(C2=CC=CC=C2)=C1S([O-])(=O)=O |
| Synonym | disodium bathocuproinedisulfonate,sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,bathocuproinedisulfonic acid sodium salt,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate,2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate disodium salt,dipotassium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate,disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate |
| IUPAC Name | disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate |
| InChI Key | RNGKZLRAVYPLJC-UHFFFAOYSA-L |
| Molecular Formula | C26H18N2Na2O6S2 |
Indole-3-propionic acid, 98%
CAS: 830-96-6 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005660 InChI Key: GOLXRNDWAUTYKT-UHFFFAOYSA-N Synonym: 3-indolepropionic acid,indole-3-propionic acid,3-1h-indol-3-yl propanoic acid,1h-indole-3-propanoic acid,indolepropionic acid,indolylpropionic acid,3-3-indolyl propionic acid,3-3-indolyl propanoic acid,ipa auxin,1h-indole-3-propionic acid PubChem CID: 3744 ChEBI: CHEBI:43580 IUPAC Name: 3-(1H-indol-3-yl)propanoic acid SMILES: OC(=O)CCC1=CNC2=CC=CC=C12
| PubChem CID | 3744 |
|---|---|
| CAS | 830-96-6 |
| Molecular Weight (g/mol) | 189.21 |
| ChEBI | CHEBI:43580 |
| MDL Number | MFCD00005660 |
| SMILES | OC(=O)CCC1=CNC2=CC=CC=C12 |
| Synonym | 3-indolepropionic acid,indole-3-propionic acid,3-1h-indol-3-yl propanoic acid,1h-indole-3-propanoic acid,indolepropionic acid,indolylpropionic acid,3-3-indolyl propionic acid,3-3-indolyl propanoic acid,ipa auxin,1h-indole-3-propionic acid |
| IUPAC Name | 3-(1H-indol-3-yl)propanoic acid |
| InChI Key | GOLXRNDWAUTYKT-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
2,6-Pyridinedicarboxylic Acid, 99%
CAS: 499-83-2 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006299 InChI Key: WJJMNDUMQPNECX-UHFFFAOYSA-N Synonym: 2,6-pyridinedicarboxylic acid,dipicolinic acid,2,6-dipicolinic acid,dipicolinate,2,6-dicarboxypyridine,2,6-pyridinedicarboxylate,unii-ue81s5cq0g,2,6-pyridinedicarboxylicacid,ue81s5cq0g,2,6-pyridinedicarboxylic acid dipicolinic acid PubChem CID: 10367 ChEBI: CHEBI:46837 IUPAC Name: pyridine-2,6-dicarboxylic acid SMILES: C1=CC(=NC(=C1)C(=O)O)C(=O)O
| PubChem CID | 10367 |
|---|---|
| CAS | 499-83-2 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:46837 |
| MDL Number | MFCD00006299 |
| SMILES | C1=CC(=NC(=C1)C(=O)O)C(=O)O |
| Synonym | 2,6-pyridinedicarboxylic acid,dipicolinic acid,2,6-dipicolinic acid,dipicolinate,2,6-dicarboxypyridine,2,6-pyridinedicarboxylate,unii-ue81s5cq0g,2,6-pyridinedicarboxylicacid,ue81s5cq0g,2,6-pyridinedicarboxylic acid dipicolinic acid |
| IUPAC Name | pyridine-2,6-dicarboxylic acid |
| InChI Key | WJJMNDUMQPNECX-UHFFFAOYSA-N |
Nicotinic acid, 99.5%
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, 90%
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 |
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 |
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 |
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 |
Nalidixic acid, 99.5%
CAS: 389-08-2 Molecular Formula: C12H12N2O3 Molecular Weight (g/mol): 232.24 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) | 232.24 |
| 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 |