Organoheterocyclic compounds
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Pyrrole-2-carbonitrile, 99%
CAS: 4513-94-4 Molecular Formula: C5H4N2 Molecular Weight (g/mol): 92.10 MDL Number: MFCD00234061 InChI Key: BQMPGKPTOHKYHS-UHFFFAOYSA-N Synonym: pyrrole-2-carbonitrile,2-cyanopyrrole,unii-6d25bmc1pp,2-carbonitrilepyrrole,6d25bmc1pp,cyanopyrrole,2-cyano-pyrrol,pyrrole carbonitrile,1h-pyrrolecarbonitrile,1h-pyrrol-2-kohlenitrile PubChem CID: 138277 IUPAC Name: 1H-pyrrole-2-carbonitrile SMILES: N#CC1=CC=CN1
| PubChem CID | 138277 |
|---|---|
| CAS | 4513-94-4 |
| Molecular Weight (g/mol) | 92.10 |
| MDL Number | MFCD00234061 |
| SMILES | N#CC1=CC=CN1 |
| Synonym | pyrrole-2-carbonitrile,2-cyanopyrrole,unii-6d25bmc1pp,2-carbonitrilepyrrole,6d25bmc1pp,cyanopyrrole,2-cyano-pyrrol,pyrrole carbonitrile,1h-pyrrolecarbonitrile,1h-pyrrol-2-kohlenitrile |
| IUPAC Name | 1H-pyrrole-2-carbonitrile |
| InChI Key | BQMPGKPTOHKYHS-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2 |
Phenazine, 99+%
CAS: 92-82-0 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD00005023 InChI Key: PCNDJXKNXGMECE-UHFFFAOYSA-N Synonym: dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs PubChem CID: 4757 ChEBI: CHEBI:36674 IUPAC Name: phenazine SMILES: C1=CC=C2C(=C1)N=C3C=CC=CC3=N2
| PubChem CID | 4757 |
|---|---|
| CAS | 92-82-0 |
| Molecular Weight (g/mol) | 180.21 |
| ChEBI | CHEBI:36674 |
| MDL Number | MFCD00005023 |
| SMILES | C1=CC=C2C(=C1)N=C3C=CC=CC3=N2 |
| Synonym | dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs |
| IUPAC Name | phenazine |
| InChI Key | PCNDJXKNXGMECE-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2 |
Naloxone hydrochloride, 98%
CAS: 357-08-4 Molecular Formula: C19H22ClNO4 Molecular Weight (g/mol): 363.838 MDL Number: MFCD00069322 InChI Key: RGPDIGOSVORSAK-STHHAXOLSA-N Synonym: naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride PubChem CID: 5464092 IUPAC Name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride SMILES: C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl
| PubChem CID | 5464092 |
|---|---|
| CAS | 357-08-4 |
| Molecular Weight (g/mol) | 363.838 |
| MDL Number | MFCD00069322 |
| SMILES | C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl |
| Synonym | naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride |
| IUPAC Name | (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride |
| InChI Key | RGPDIGOSVORSAK-STHHAXOLSA-N |
| Molecular Formula | C19H22ClNO4 |
1,1'-Carbonyldiimidazole, 97%
CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 IUPAC Name: di(imidazol-1-yl)methanone SMILES: O=C(N1C=CN=C1)N1C=CN=C1
| PubChem CID | 68263 |
|---|---|
| CAS | 530-62-1 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00005286 |
| SMILES | O=C(N1C=CN=C1)N1C=CN=C1 |
| Synonym | 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole |
| IUPAC Name | di(imidazol-1-yl)methanone |
| InChI Key | PFKFTWBEEFSNDU-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4O |
Nicotinic Acid 99.0+%, TCI America™
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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 |
5-Hydroxyindole-3-acetic Acid, 99%
CAS: 54-16-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00005639 InChI Key: DUUGKQCEGZLZNO-UHFFFAOYSA-N Synonym: 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid PubChem CID: 1826 ChEBI: CHEBI:27823 IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)acetic acid SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
| PubChem CID | 1826 |
|---|---|
| CAS | 54-16-0 |
| Molecular Weight (g/mol) | 191.19 |
| ChEBI | CHEBI:27823 |
| MDL Number | MFCD00005639 |
| SMILES | C1=CC2=C(C=C1O)C(=CN2)CC(=O)O |
| Synonym | 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid |
| IUPAC Name | 2-(5-hydroxy-1H-indol-3-yl)acetic acid |
| InChI Key | DUUGKQCEGZLZNO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |
N-Vinyl-2-pyrrolidone, 99%, stabilized with NaOH
CAS: 88-12-0 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD00003197 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: C=CN1CCCC1=O
| PubChem CID | 6917 |
|---|---|
| CAS | 88-12-0 |
| Molecular Weight (g/mol) | 111.14 |
| ChEBI | CHEBI:82551 |
| MDL Number | MFCD00003197 |
| SMILES | C=CN1CCCC1=O |
| Synonym | n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO |
Sodium Dichloroisocyanurate 97.0+%, TCI America™
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CAS: 2893-78-9 Molecular Formula: C3HCl2N3NaO3 Molecular Weight (g/mol): 220.949 MDL Number: MFCD00006036 InChI Key: UNWRHVZXVVTASG-UHFFFAOYSA-N Synonym: sodium dichlorocyanuric acid,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3-dichloro-, sodium salt PubChem CID: 86657659 IUPAC Name: 1,3-dichloro-1,3,5-triazinane-2,4,6-trione;sodium SMILES: C1(=O)NC(=O)N(C(=O)N1Cl)Cl.[Na]
| PubChem CID | 86657659 |
|---|---|
| CAS | 2893-78-9 |
| Molecular Weight (g/mol) | 220.949 |
| MDL Number | MFCD00006036 |
| SMILES | C1(=O)NC(=O)N(C(=O)N1Cl)Cl.[Na] |
| Synonym | sodium dichlorocyanuric acid,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3-dichloro-, sodium salt |
| IUPAC Name | 1,3-dichloro-1,3,5-triazinane-2,4,6-trione;sodium |
| InChI Key | UNWRHVZXVVTASG-UHFFFAOYSA-N |
| Molecular Formula | C3HCl2N3NaO3 |
(+)-Quinidine
CAS: 56-54-2 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00135581,MFCD00198096 InChI Key: LOUPRKONTZGTKE-LHHVKLHASA-N Synonym: quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine PubChem CID: 441074 ChEBI: CHEBI:28593 IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol SMILES: COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1
| PubChem CID | 441074 |
|---|---|
| CAS | 56-54-2 |
| Molecular Weight (g/mol) | 324.42 |
| ChEBI | CHEBI:28593 |
| MDL Number | MFCD00135581,MFCD00198096 |
| SMILES | COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1 |
| Synonym | quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine |
| IUPAC Name | (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol |
| InChI Key | LOUPRKONTZGTKE-LHHVKLHASA-N |
| Molecular Formula | C20H24N2O2 |
Guanosine, 98%
CAS: 118-00-3 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.24 MDL Number: MFCD00010182 InChI Key: NYHBQMYGNKIUIF-UUOKFMHZSA-N Synonym: guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine PubChem CID: 6802 ChEBI: CHEBI:16750 SMILES: NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
| PubChem CID | 6802 |
|---|---|
| CAS | 118-00-3 |
| Molecular Weight (g/mol) | 283.24 |
| ChEBI | CHEBI:16750 |
| MDL Number | MFCD00010182 |
| SMILES | NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 |
| Synonym | guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine |
| InChI Key | NYHBQMYGNKIUIF-UUOKFMHZSA-N |
| Molecular Formula | C10H13N5O5 |
2-Aminooxazole, 97%
CAS: 4570-45-0 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD07364485 InChI Key: ACTKAGSPIFDCMF-UHFFFAOYSA-N Synonym: oxazol-2-amine,2-aminooxazole,oxazole-2-amine,2-amino-oxazole,2-oxazolamine,2-amino-1,3-oxazole,oxazol-2-ylamine,2-aminoxazole,1,3-oxazol-2-ylamine,1,3-oxazole-2-ylamine PubChem CID: 558521 IUPAC Name: 1,3-oxazol-2-amine SMILES: NC1=NC=CO1
| PubChem CID | 558521 |
|---|---|
| CAS | 4570-45-0 |
| Molecular Weight (g/mol) | 84.08 |
| MDL Number | MFCD07364485 |
| SMILES | NC1=NC=CO1 |
| Synonym | oxazol-2-amine,2-aminooxazole,oxazole-2-amine,2-amino-oxazole,2-oxazolamine,2-amino-1,3-oxazole,oxazol-2-ylamine,2-aminoxazole,1,3-oxazol-2-ylamine,1,3-oxazole-2-ylamine |
| IUPAC Name | 1,3-oxazol-2-amine |
| InChI Key | ACTKAGSPIFDCMF-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2O |
N-Hydroxysulfosuccinimide sodium salt, 97%
CAS: 106627-54-7 Molecular Formula: C4H4NNaO6S Molecular Weight (g/mol): 217.127 MDL Number: MFCD00043100 InChI Key: RPENMORRBUTCPR-UHFFFAOYSA-M Synonym: n-hydroxysulfosuccinimide sodium salt,sulfo-nhs,sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate,n-hydroxysulfosuccinimidesodiumsalt,3-pyrrolidinesulfonic acid, 1-hydroxy-2,5-dioxo-, monosodium salt,sodium 1-hydroxy-2,5-dioxo-pyrrolidine-3-sulfonate,n-hydroxusulfosuccinimide sodium,n-hydroxy-2-sodiosulfo succinimide,n-hydroxysulfosuccinimide,sodium salt,n-hydroxusulfosuccinimide sodium salt PubChem CID: 3520574 IUPAC Name: sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate SMILES: C1C(C(=O)N(C1=O)O)S(=O)(=O)[O-].[Na+]
| PubChem CID | 3520574 |
|---|---|
| CAS | 106627-54-7 |
| Molecular Weight (g/mol) | 217.127 |
| MDL Number | MFCD00043100 |
| SMILES | C1C(C(=O)N(C1=O)O)S(=O)(=O)[O-].[Na+] |
| Synonym | n-hydroxysulfosuccinimide sodium salt,sulfo-nhs,sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate,n-hydroxysulfosuccinimidesodiumsalt,3-pyrrolidinesulfonic acid, 1-hydroxy-2,5-dioxo-, monosodium salt,sodium 1-hydroxy-2,5-dioxo-pyrrolidine-3-sulfonate,n-hydroxusulfosuccinimide sodium,n-hydroxy-2-sodiosulfo succinimide,n-hydroxysulfosuccinimide,sodium salt,n-hydroxusulfosuccinimide sodium salt |
| IUPAC Name | sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate |
| InChI Key | RPENMORRBUTCPR-UHFFFAOYSA-M |
| Molecular Formula | C4H4NNaO6S |
beta-Propiolactone, 97%
CAS: 57-57-8 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.06 MDL Number: MFCD00005169 InChI Key: VEZXCJBBBCKRPI-UHFFFAOYSA-N Synonym: beta-propiolactone,propiolactone,2-oxetanone,propanolide,betaprone,3-propanolide,1,3-propiolactone,3-propiolactone,beta-propionolactone,beta-propiolakton PubChem CID: 2365 ChEBI: CHEBI:49073 IUPAC Name: oxetan-2-one SMILES: O=C1CCO1
| PubChem CID | 2365 |
|---|---|
| CAS | 57-57-8 |
| Molecular Weight (g/mol) | 72.06 |
| ChEBI | CHEBI:49073 |
| MDL Number | MFCD00005169 |
| SMILES | O=C1CCO1 |
| Synonym | beta-propiolactone,propiolactone,2-oxetanone,propanolide,betaprone,3-propanolide,1,3-propiolactone,3-propiolactone,beta-propionolactone,beta-propiolakton |
| IUPAC Name | oxetan-2-one |
| InChI Key | VEZXCJBBBCKRPI-UHFFFAOYSA-N |
| Molecular Formula | C3H4O2 |
1,2-Benzisothiazol-3(2H)-one 98.0+%, TCI America™
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CAS: 2634-33-5 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00127753 InChI Key: DMSMPAJRVJJAGA-UHFFFAOYSA-N Synonym: 1,2-benzisothiazol-3 2h-one,1,2-benzisothiazolin-3-one,benzisothiazolone,proxel,benzo d isothiazol-3 2h-one,1,2-benzisothiazoline-3-one,benzisothiazolinone,proxel pl,benzo d isothiazol-3-one,2,3-dihydro-1,2-benzothiazol-3-one PubChem CID: 17520 ChEBI: CHEBI:167099 IUPAC Name: 1,2-benzothiazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NS2
| PubChem CID | 17520 |
|---|---|
| CAS | 2634-33-5 |
| Molecular Weight (g/mol) | 151.183 |
| ChEBI | CHEBI:167099 |
| MDL Number | MFCD00127753 |
| SMILES | C1=CC=C2C(=C1)C(=O)NS2 |
| Synonym | 1,2-benzisothiazol-3 2h-one,1,2-benzisothiazolin-3-one,benzisothiazolone,proxel,benzo d isothiazol-3 2h-one,1,2-benzisothiazoline-3-one,benzisothiazolinone,proxel pl,benzo d isothiazol-3-one,2,3-dihydro-1,2-benzothiazol-3-one |
| IUPAC Name | 1,2-benzothiazol-3-one |
| InChI Key | DMSMPAJRVJJAGA-UHFFFAOYSA-N |
| Molecular Formula | C7H5NOS |
2-Picoline, 98+%
CAS: 109-06-8 Molecular Formula: C6H7N Molecular Weight (g/mol): 93.129 MDL Number: MFCD00006332 InChI Key: BSKHPKMHTQYZBB-UHFFFAOYSA-N Synonym: 2-picoline,o-picoline,pyridine, 2-methyl,picoline,alpha-picoline,a-picoline,pyridine, methyl,methylpyridine,o-methylpyridine,picoline, alpha PubChem CID: 7975 ChEBI: CHEBI:50415 IUPAC Name: 2-methylpyridine SMILES: CC1=CC=CC=N1
| PubChem CID | 7975 |
|---|---|
| CAS | 109-06-8 |
| Molecular Weight (g/mol) | 93.129 |
| ChEBI | CHEBI:50415 |
| MDL Number | MFCD00006332 |
| SMILES | CC1=CC=CC=N1 |
| Synonym | 2-picoline,o-picoline,pyridine, 2-methyl,picoline,alpha-picoline,a-picoline,pyridine, methyl,methylpyridine,o-methylpyridine,picoline, alpha |
| IUPAC Name | 2-methylpyridine |
| InChI Key | BSKHPKMHTQYZBB-UHFFFAOYSA-N |
| Molecular Formula | C6H7N |