Organoheterocyclic compounds
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Isoquinoline-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 7159-36-6 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00094344 InChI Key: MCVMLYSLPCECGO-UHFFFAOYSA-N Synonym: 4-isoquinolinecarboxylic acid,4-carboxyisoquinoline,4-isoquinolinecarboxylicacid,isoquinoline-4-carboxylicacid,4-carboxy-isoquinoline,acmc-209oja,isoquinoline-4-carboxylic,isoquinolin-4-carboxylic acid,n-2-aminoethyl pyrrolidine; 2-1-pyrrolidino ethylamine PubChem CID: 459768 IUPAC Name: isoquinoline-4-carboxylic acid SMILES: OC(=O)C1=CN=CC2=CC=CC=C12
| PubChem CID | 459768 |
|---|---|
| CAS | 7159-36-6 |
| Molecular Weight (g/mol) | 173.17 |
| MDL Number | MFCD00094344 |
| SMILES | OC(=O)C1=CN=CC2=CC=CC=C12 |
| Synonym | 4-isoquinolinecarboxylic acid,4-carboxyisoquinoline,4-isoquinolinecarboxylicacid,isoquinoline-4-carboxylicacid,4-carboxy-isoquinoline,acmc-209oja,isoquinoline-4-carboxylic,isoquinolin-4-carboxylic acid,n-2-aminoethyl pyrrolidine; 2-1-pyrrolidino ethylamine |
| IUPAC Name | isoquinoline-4-carboxylic acid |
| InChI Key | MCVMLYSLPCECGO-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2 |
2-[4-(Methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]acetic acid, 97%, Thermo Scientific™
CAS: 77978-73-5 Molecular Formula: C9H11NO5 Molecular Weight (g/mol): 213.189 MDL Number: MFCD00173859 InChI Key: WLKUVVIAHUXPSB-UHFFFAOYSA-N Synonym: 2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3-yl acetic acid,4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,1h-pyrrole-3-aceticacid, 2,3-dihydro-4-methoxycarbonyl-5-methyl-2-oxo,maybridge1_002247,3-methoxycarbonyl-2-methyl-5-oxo-2-pyrrolin-4-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3yl acetic acid PubChem CID: 2774998 IUPAC Name: 2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid SMILES: CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC
| PubChem CID | 2774998 |
|---|---|
| CAS | 77978-73-5 |
| Molecular Weight (g/mol) | 213.189 |
| MDL Number | MFCD00173859 |
| SMILES | CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC |
| Synonym | 2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3-yl acetic acid,4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,1h-pyrrole-3-aceticacid, 2,3-dihydro-4-methoxycarbonyl-5-methyl-2-oxo,maybridge1_002247,3-methoxycarbonyl-2-methyl-5-oxo-2-pyrrolin-4-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3yl acetic acid |
| IUPAC Name | 2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid |
| InChI Key | WLKUVVIAHUXPSB-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO5 |
5,5-Dimethyl-1-pyrroline N-oxide, ≥98.0% (GC), MilliporeSigma™ Supelco™
MDL Number: MFCD00005279 Synonym: DMPO
| MDL Number | MFCD00005279 |
|---|---|
| Synonym | DMPO |
Ketotifen Hydrogen Fumarate, EP, 98.5-101%, Spectrum™ Chemical
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CAS: 34580-14-8 Molecular Formula: C23H23NO5S Molecular Weight (g/mol): 425.50 InChI Key: YNQQEYBLVYAWNX-WLHGVMLRSA-N IUPAC Name: (2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one SMILES: OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12
| CAS | 34580-14-8 |
|---|---|
| Molecular Weight (g/mol) | 425.50 |
| SMILES | OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12 |
| IUPAC Name | (2E)-but-2-enedioic acid; 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one |
| InChI Key | YNQQEYBLVYAWNX-WLHGVMLRSA-N |
| Molecular Formula | C23H23NO5S |
Clioquinol, Approx. 95%, Spectrum™ Chemical
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CAS: 130-26-7 Molecular Weight (g/mol): 178.5
| CAS | 130-26-7 |
|---|---|
| Molecular Weight (g/mol) | 178.5 |
Proflavine Hydrochloride, Spectrum™ Chemical
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CAS: 952-23-8 Molecular Formula: C26H26Cl2N6O Molecular Weight (g/mol): 509.44 InChI Key: APOVFGFHTIKDOX-UHFFFAOYSA-N IUPAC Name: dihydrogen bis(acridine-3,6-diamine) hydrate dichloride SMILES: [H+].[H+].O.[Cl-].[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1
| CAS | 952-23-8 |
|---|---|
| Molecular Weight (g/mol) | 509.44 |
| SMILES | [H+].[H+].O.[Cl-].[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1 |
| IUPAC Name | dihydrogen bis(acridine-3,6-diamine) hydrate dichloride |
| InChI Key | APOVFGFHTIKDOX-UHFFFAOYSA-N |
| Molecular Formula | C26H26Cl2N6O |
Imiquimod, 99%
CAS: 99011-02-6 Molecular Formula: C14H16N4 Molecular Weight (g/mol): 240.31 MDL Number: MFCD00866946 InChI Key: DOUYETYNHWVLEO-UHFFFAOYSA-N Synonym: imiquimod,aldara,zyclara,beselna,1-2-methylpropyl-1h-imidazo 4,5-c quinolin-4-amine,zartra,imiquimod acetate,1-isobutyl-1h-imidazo 4,5-c quinolin-4-amine,4-amino-1-isobutyl-1h-imidazo 4,5-c quinoline PubChem CID: 57469 ChEBI: CHEBI:36704 IUPAC Name: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine SMILES: CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N
| PubChem CID | 57469 |
|---|---|
| CAS | 99011-02-6 |
| Molecular Weight (g/mol) | 240.31 |
| ChEBI | CHEBI:36704 |
| MDL Number | MFCD00866946 |
| SMILES | CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N |
| Synonym | imiquimod,aldara,zyclara,beselna,1-2-methylpropyl-1h-imidazo 4,5-c quinolin-4-amine,zartra,imiquimod acetate,1-isobutyl-1h-imidazo 4,5-c quinolin-4-amine,4-amino-1-isobutyl-1h-imidazo 4,5-c quinoline |
| IUPAC Name | 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine |
| InChI Key | DOUYETYNHWVLEO-UHFFFAOYSA-N |
| Molecular Formula | C14H16N4 |
Naltrexone hydrochloride, Thermo Scientific Chemicals
CAS: 16676-29-2 Molecular Formula: C20H24ClNO4 Molecular Weight (g/mol): 377.865 MDL Number: MFCD00069324 InChI Key: RHBRMCOKKKZVRY-ITLPAZOVSA-N Synonym: naltrexone hydrochloride,naltrexone hcl,trexan,depade,antaxone,revia,nalorex,unii-z6375yw9sf,nemexin PubChem CID: 5485201 IUPAC Name: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O.Cl
| PubChem CID | 5485201 |
|---|---|
| CAS | 16676-29-2 |
| Molecular Weight (g/mol) | 377.865 |
| MDL Number | MFCD00069324 |
| SMILES | C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O.Cl |
| Synonym | naltrexone hydrochloride,naltrexone hcl,trexan,depade,antaxone,revia,nalorex,unii-z6375yw9sf,nemexin |
| IUPAC Name | (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride |
| InChI Key | RHBRMCOKKKZVRY-ITLPAZOVSA-N |
| Molecular Formula | C20H24ClNO4 |
Thermo Scientific Chemicals Atracurium besylate, 96%
CAS: 64228-81-5 Molecular Formula: C53H72N2O12·2C6H5O3S Molecular Weight (g/mol): 1243.49 InChI Key: XXZSQOVSEBAPGS-UHFFFAOYSA-L Synonym: atracurium besylate,atracurium besilate,tracrium,atracurii besilas,besilate d'atracurium,besilato de atracurio,tracrium preservative free,atracurii besilas inn-latin,bw 33a PubChem CID: 47320 ChEBI: CHEBI:2915 IUPAC Name: benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
| PubChem CID | 47320 |
|---|---|
| CAS | 64228-81-5 |
| Molecular Weight (g/mol) | 1243.49 |
| ChEBI | CHEBI:2915 |
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-] |
| Synonym | atracurium besylate,atracurium besilate,tracrium,atracurii besilas,besilate d'atracurium,besilato de atracurio,tracrium preservative free,atracurii besilas inn-latin,bw 33a |
| IUPAC Name | benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate |
| InChI Key | XXZSQOVSEBAPGS-UHFFFAOYSA-L |
| Molecular Formula | C53H72N2O12·2C6H5O3S |
Naloxone Hydrochloride, Dihydrate, USP, 98-100.5%, Spectrum™ Chemical
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CAS: 51481-60-8
| CAS | 51481-60-8 |
|---|
Dimidium bromide, ∽95%, MP Biomedicals™
CAS: 518-67-2 Molecular Formula: C20H18BrN3 Molecular Weight (g/mol): 380.29 MDL Number: MFCD00011757 InChI Key: MQOKYEROIFEEBH-UHFFFAOYSA-N Synonym: dimidium bromide,trypadine,3,8-diamino-5-methyl-6-phenylphenanthridinium bromide,phenanthridinium 1553,phenanthridinium compound 1553,phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide,2,7-diamino-10-methyl-9-phenylphenanthridinium bromide,3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide,phenanthridium 1553 PubChem CID: 68207 IUPAC Name: 3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide SMILES: [Br-].C[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12
| PubChem CID | 68207 |
|---|---|
| CAS | 518-67-2 |
| Molecular Weight (g/mol) | 380.29 |
| MDL Number | MFCD00011757 |
| SMILES | [Br-].C[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12 |
| Synonym | dimidium bromide,trypadine,3,8-diamino-5-methyl-6-phenylphenanthridinium bromide,phenanthridinium 1553,phenanthridinium compound 1553,phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide,2,7-diamino-10-methyl-9-phenylphenanthridinium bromide,3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide,phenanthridium 1553 |
| IUPAC Name | 3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide |
| InChI Key | MQOKYEROIFEEBH-UHFFFAOYSA-N |
| Molecular Formula | C20H18BrN3 |
1-n-Butylpyridinium chloride, 98%
CAS: 1124-64-7 Molecular Formula: C9H14ClN Molecular Weight (g/mol): 171.668 MDL Number: MFCD00060047 InChI Key: POKOASTYJWUQJG-UHFFFAOYSA-M Synonym: 1-butylpyridinium chloride,1-butylpyridin-1-ium chloride,n-butylpyridinium chloride,butylpyridinium chloride,dsstox_cid_11462,dsstox_rid_78879,dsstox_gsid_31462,unii-f8m63j351a,butylpyridiniumchloride,butylpyridine, chloride PubChem CID: 2734171 IUPAC Name: 1-butylpyridin-1-ium;chloride SMILES: CCCC[N+]1=CC=CC=C1.[Cl-]
| PubChem CID | 2734171 |
|---|---|
| CAS | 1124-64-7 |
| Molecular Weight (g/mol) | 171.668 |
| MDL Number | MFCD00060047 |
| SMILES | CCCC[N+]1=CC=CC=C1.[Cl-] |
| Synonym | 1-butylpyridinium chloride,1-butylpyridin-1-ium chloride,n-butylpyridinium chloride,butylpyridinium chloride,dsstox_cid_11462,dsstox_rid_78879,dsstox_gsid_31462,unii-f8m63j351a,butylpyridiniumchloride,butylpyridine, chloride |
| IUPAC Name | 1-butylpyridin-1-ium;chloride |
| InChI Key | POKOASTYJWUQJG-UHFFFAOYSA-M |
| Molecular Formula | C9H14ClN |
(+)-Biotin N-succinimidyl ester, 98%
CAS: 35013-72-0 Molecular Formula: C14H19N3O5S Molecular Weight (g/mol): 341.382 MDL Number: MFCD00078531 InChI Key: YMXHPSHLTSZXKH-RVBZMBCESA-N Synonym: +-biotin n-hydroxysuccinimide ester,biotin-nhs,biotin nhs,2,5-dioxopyrrolidin-1-yl 5-3as,4s,6ar-2-oxohexahydro-1h-thieno 3,4-d imidazol-4-yl pentanoate,n-hydroxysuccinimidobiotin,d-biotinyl-osu,biotin-osu,n-succinimidyl d-biotinate,bhse,biotin n-hydroxysuccinimide ester PubChem CID: 6710714 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate SMILES: C1CC(=O)N(C1=O)OC(=O)CCCCC2C3C(CS2)NC(=O)N3
| PubChem CID | 6710714 |
|---|---|
| CAS | 35013-72-0 |
| Molecular Weight (g/mol) | 341.382 |
| MDL Number | MFCD00078531 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)CCCCC2C3C(CS2)NC(=O)N3 |
| Synonym | +-biotin n-hydroxysuccinimide ester,biotin-nhs,biotin nhs,2,5-dioxopyrrolidin-1-yl 5-3as,4s,6ar-2-oxohexahydro-1h-thieno 3,4-d imidazol-4-yl pentanoate,n-hydroxysuccinimidobiotin,d-biotinyl-osu,biotin-osu,n-succinimidyl d-biotinate,bhse,biotin n-hydroxysuccinimide ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate |
| InChI Key | YMXHPSHLTSZXKH-RVBZMBCESA-N |
| Molecular Formula | C14H19N3O5S |
5-Aza-2'-deoxycytidine, 98%
CAS: 2353-33-5 Molecular Formula: C9H13N3O4 Molecular Weight (g/mol): 227.22 MDL Number: MFCD00006547 InChI Key: CKTSBUTUHBMZGZ-SHYZEUOFSA-N Synonym: decitabine,5-aza-2'-deoxycytidine,dacogen,5-azadeoxycytidine,2'-deoxy-5-azacytidine,azadc,dezocitidine,5-aza-cdr,5-aza-dc,dacogen tn PubChem CID: 451668 ChEBI: CHEBI:50131 IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one SMILES: NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1
| PubChem CID | 451668 |
|---|---|
| CAS | 2353-33-5 |
| Molecular Weight (g/mol) | 227.22 |
| ChEBI | CHEBI:50131 |
| MDL Number | MFCD00006547 |
| SMILES | NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1 |
| Synonym | decitabine,5-aza-2'-deoxycytidine,dacogen,5-azadeoxycytidine,2'-deoxy-5-azacytidine,azadc,dezocitidine,5-aza-cdr,5-aza-dc,dacogen tn |
| IUPAC Name | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one |
| InChI Key | CKTSBUTUHBMZGZ-SHYZEUOFSA-N |
| Molecular Formula | C9H13N3O4 |
Thermo Scientific Chemicals Oxonic acid, potassium salt, 97.5%
CAS: 2207-75-2 Molecular Formula: C4H2KN3O4 Molecular Weight (g/mol): 195.18 MDL Number: MFCD00010565 InChI Key: IAPCTXZQXAVYNG-UHFFFAOYSA-M Synonym: potassium oxonate,oteracil potassium,oxonic acid potassium salt,allantoxanic acid potassium salt,potassium azaorotate,oxonic acid, potassium salt,oxonate, potassium,oxonate,allantoxanic acid PubChem CID: 2723920 ChEBI: CHEBI:80230 IUPAC Name: potassium;4,6-dioxo-1H-1,3,5-triazine-2-carboxylate SMILES: [K+].[O-]C(=O)C1=NC(=O)NC(=O)N1
| PubChem CID | 2723920 |
|---|---|
| CAS | 2207-75-2 |
| Molecular Weight (g/mol) | 195.18 |
| ChEBI | CHEBI:80230 |
| MDL Number | MFCD00010565 |
| SMILES | [K+].[O-]C(=O)C1=NC(=O)NC(=O)N1 |
| Synonym | potassium oxonate,oteracil potassium,oxonic acid potassium salt,allantoxanic acid potassium salt,potassium azaorotate,oxonic acid, potassium salt,oxonate, potassium,oxonate,allantoxanic acid |
| IUPAC Name | potassium;4,6-dioxo-1H-1,3,5-triazine-2-carboxylate |
| InChI Key | IAPCTXZQXAVYNG-UHFFFAOYSA-M |
| Molecular Formula | C4H2KN3O4 |