Organoheterocyclic compounds
Organoheterocyclic compounds
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Dihydroergotamine Mesylate, USP, 97-103%, Spectrum™ Chemical
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CAS: 6190-39-2 Molecular Formula: C34H41N5O8S Molecular Weight (g/mol): 679.79 MDL Number: MFCD00058615 InChI Key: ADYPXRFPBQGGAH-UMYZUSPBSA-N IUPAC Name: (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid SMILES: CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O
CAS | 6190-39-2 |
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Molecular Weight (g/mol) | 679.79 |
MDL Number | MFCD00058615 |
SMILES | CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O |
IUPAC Name | (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid |
InChI Key | ADYPXRFPBQGGAH-UMYZUSPBSA-N |
Molecular Formula | C34H41N5O8S |
Thiamine Mononitrate, USP, 98-102%, Spectrum™ Chemical
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CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.36 MDL Number: MFCD00036330 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-3H-1λ⁴,3-thiazol-1-ylium nitrate SMILES: [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N
CAS | 532-43-4 |
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Molecular Weight (g/mol) | 327.36 |
MDL Number | MFCD00036330 |
SMILES | [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N |
IUPAC Name | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-3H-1λ⁴,3-thiazol-1-ylium nitrate |
InChI Key | UIERGBJEBXXIGO-UHFFFAOYSA-N |
Molecular Formula | C12H17N5O4S |
Niacin, Powder, USP, 98-102%, Spectrum™ Chemical
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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 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1
CAS | 59-67-6 |
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Molecular Weight (g/mol) | 123.11 |
MDL Number | MFCD00006391 |
SMILES | OC(=O)C1=CC=CN=C1 |
IUPAC Name | pyridine-3-carboxylic acid |
InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
Molecular Formula | C6H5NO2 |
Chlorpheniramine Maleate, USP, 98-102%, Spectrum™ Chemical
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CAS: 113-92-8 Molecular Formula: C20H23ClN2O4 Molecular Weight (g/mol): 390.86 MDL Number: MFCD00069225 InChI Key: DBAKFASWICGISY-BTJKTKAUNA-N IUPAC Name: [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylazanium (2Z)-3-carboxyprop-2-enoate SMILES: OC(=O)\C=C/C([O-])=O.C[NH+](C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
CAS | 113-92-8 |
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Molecular Weight (g/mol) | 390.86 |
MDL Number | MFCD00069225 |
SMILES | OC(=O)\C=C/C([O-])=O.C[NH+](C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 |
IUPAC Name | [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylazanium (2Z)-3-carboxyprop-2-enoate |
InChI Key | DBAKFASWICGISY-BTJKTKAUNA-N |
Molecular Formula | C20H23ClN2O4 |
Cyanocobalamin, Crystalline, USP, 96-102%, Spectrum™ Chemical
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CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L IUPAC Name: (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-1-cyano-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
CAS | 68-19-9 |
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Molecular Weight (g/mol) | 1355.39 |
MDL Number | MFCD00151092 |
SMILES | [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O |
IUPAC Name | (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-1-cyano-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate |
InChI Key | YUWVGNQGDAPKCX-BVWPOUIRNA-L |
Molecular Formula | C63H88CoN14O14P |
Pyridoxine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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CAS: 58-56-0 Molecular Formula: C8H12ClNO3 Molecular Weight (g/mol): 205.64 InChI Key: ZUFQODAHGAHPFQ-UHFFFAOYSA-N IUPAC Name: hydrogen 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol chloride SMILES: [H+].[Cl-].CC1=NC=C(CO)C(CO)=C1O
CAS | 58-56-0 |
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Molecular Weight (g/mol) | 205.64 |
SMILES | [H+].[Cl-].CC1=NC=C(CO)C(CO)=C1O |
IUPAC Name | hydrogen 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol chloride |
InChI Key | ZUFQODAHGAHPFQ-UHFFFAOYSA-N |
Molecular Formula | C8H12ClNO3 |
Trazodone Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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CAS: 25332-39-2 Molecular Formula: C19H23Cl2N5O Molecular Weight (g/mol): 408.33 InChI Key: OHHDIOKRWWOXMT-UHFFFAOYSA-N IUPAC Name: hydrogen 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one chloride SMILES: [H+].[Cl-].ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1
CAS | 25332-39-2 |
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Molecular Weight (g/mol) | 408.33 |
SMILES | [H+].[Cl-].ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1 |
IUPAC Name | hydrogen 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one chloride |
InChI Key | OHHDIOKRWWOXMT-UHFFFAOYSA-N |
Molecular Formula | C19H23Cl2N5O |
Thiamine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.26 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M IUPAC Name: hydrogen 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride SMILES: [H+].[Cl-].[Cl-].CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N
CAS | 67-03-8 |
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Molecular Weight (g/mol) | 337.26 |
SMILES | [H+].[Cl-].[Cl-].CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N |
IUPAC Name | hydrogen 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride |
InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
Molecular Formula | C12H18Cl2N4OS |
Hydralazine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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CAS: 304-20-1 Molecular Formula: C8H9ClN4 Molecular Weight (g/mol): 196.64 InChI Key: ZUXNZUWOTSUBMN-UHFFFAOYSA-N IUPAC Name: hydrogen 1-hydrazinylphthalazine chloride SMILES: [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1
CAS | 304-20-1 |
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Molecular Weight (g/mol) | 196.64 |
SMILES | [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1 |
IUPAC Name | hydrogen 1-hydrazinylphthalazine chloride |
InChI Key | ZUXNZUWOTSUBMN-UHFFFAOYSA-N |
Molecular Formula | C8H9ClN4 |
Buspirone Hydrochloride, USP, 97.5-102.5%, Spectrum™ Chemical
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CAS: 33386-08-2 Molecular Formula: C21H32ClN5O2 Molecular Weight (g/mol): 421.97 InChI Key: RICLFGYGYQXUFH-UHFFFAOYSA-N IUPAC Name: hydrogen 8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione chloride SMILES: [H+].[Cl-].O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1
CAS | 33386-08-2 |
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Molecular Weight (g/mol) | 421.97 |
SMILES | [H+].[Cl-].O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1 |
IUPAC Name | hydrogen 8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione chloride |
InChI Key | RICLFGYGYQXUFH-UHFFFAOYSA-N |
Molecular Formula | C21H32ClN5O2 |
Povidone-Iodine, USP, 9-12%, Spectrum™ Chemical
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CAS: 25655-41-8 Molecular Formula: (C6H9NO)nI2 Molecular Weight (g/mol): 364.95 MDL Number: MFCD00084483 InChI Key: CPKVUHPKYQGHMW-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one; diiodine SMILES: II.*-CC(-*)N1CCCC1=O
CAS | 25655-41-8 |
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Molecular Weight (g/mol) | 364.95 |
MDL Number | MFCD00084483 |
SMILES | II.*-CC(-*)N1CCCC1=O |
IUPAC Name | 1-ethenylpyrrolidin-2-one; diiodine |
InChI Key | CPKVUHPKYQGHMW-UHFFFAOYSA-N |
Molecular Formula | (C6H9NO)nI2 |
Metronidazole, USP, 99-101%, Spectrum™ Chemical
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Dimenhydrinate, USP, 53-55.5%, Spectrum™ Chemical
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Povidone, K-90, USP, Spectrum™ Chemical
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CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
CAS | 9003-39-8 |
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Molecular Weight (g/mol) | 111.14 |
MDL Number | MFCD01076626 |
SMILES | *-CC(-*)N1CCCC1=O |
IUPAC Name | 1-ethenylpyrrolidin-2-one |
InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
Molecular Formula | (C6H9NO)n |
Phenytoin, USP, 98-102%, Spectrum™ Chemical
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CAS: 57-41-0 Molecular Formula: C15H12N2O2 Molecular Weight (g/mol): 252.27 InChI Key: CXOFVDLJLONNDW-UHFFFAOYSA-N IUPAC Name: 5,5-diphenylimidazolidine-2,4-dione SMILES: O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1
CAS | 57-41-0 |
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Molecular Weight (g/mol) | 252.27 |
SMILES | O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 |
IUPAC Name | 5,5-diphenylimidazolidine-2,4-dione |
InChI Key | CXOFVDLJLONNDW-UHFFFAOYSA-N |
Molecular Formula | C15H12N2O2 |