Organoheterocyclic compounds

Organoheterocyclic compounds








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Caffeine, 98.5%, specified according to the req. of USP/BP
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
PubChem CID | 2519 |
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CAS | 58-08-2 |
Molecular Weight (g/mol) | 194.19 |
ChEBI | CHEBI:27732 |
MDL Number | MFCD00005758 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
Molecular Formula | C8H10N4O2 |
Quinine sulfate dihydrate, specified according to the requirements of USP
CAS: 6119-70-6 Molecular Formula: C40H54N4O10S Molecular Weight (g/mol): 782.95 MDL Number: MFCD00150790 InChI Key: ZHNFLHYOFXQIOW-OIGVVMIYNA-N PubChem CID: 134129495 SMILES: O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
PubChem CID | 134129495 |
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CAS | 6119-70-6 |
Molecular Weight (g/mol) | 782.95 |
MDL Number | MFCD00150790 |
SMILES | O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C |
InChI Key | ZHNFLHYOFXQIOW-OIGVVMIYNA-N |
Molecular Formula | C40H54N4O10S |
CAS | 58-08-2 |
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Povidone K-30, USP, Spectrum™ Chemical
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 |
Povidone K-30, USP, Spectrum™ Chemical
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 |
Povidone, K-90, USP, Spectrum™ Chemical
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 |
Niacin, Powder, USP, 98-102%, Spectrum™ Chemical
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 |
Niacin, Powder, USP, 98-102%, Spectrum™ Chemical
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 |
Biotin, Powder, USP, 97.5-102%, Spectrum™ Chemical
CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N IUPAC Name: 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
CAS | 58-85-5 |
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Molecular Weight (g/mol) | 244.31 |
MDL Number | MFCD00005541 |
SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
IUPAC Name | 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid |
InChI Key | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
Molecular Formula | C10H16N2O3S |
Thiamine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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 |
Cyanocobalamin, Crystalline, USP, 96-102%, Spectrum™ Chemical
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 |
Povidone, K-90, USP, Spectrum™ Chemical
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 |
Thiamine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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 |
Thiamine Hydrochloride, U.S.P. - F.C.C., J.T. Baker™
CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
PubChem CID | 6202 |
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CAS | 67-03-8 |
Molecular Weight (g/mol) | 337.263 |
ChEBI | CHEBI:49105 |
SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
Synonym | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
Molecular Formula | C12H18Cl2N4OS |
Thermo Scientific Chemicals Yohimbine hydrochloride, 99%
CAS: 65-19-0 Molecular Formula: C21H27ClN2O3 Molecular Weight (g/mol): 390.91 MDL Number: MFCD00012674 InChI Key: PIPZGJSEDRMUAW-VJDCAHTMSA-N Synonym: yohimbine hydrochloride,antagonil,yohimbe,yohimbine hcl,aphrodine hydrochloride,yohimbine monohydrochloride,unii-nb2e1yp49f,yohimbin hydrochloride usp,nb2e1yp49f PubChem CID: 6169 IUPAC Name: methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride SMILES: [H+].[Cl-].COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12
PubChem CID | 6169 |
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CAS | 65-19-0 |
Molecular Weight (g/mol) | 390.91 |
MDL Number | MFCD00012674 |
SMILES | [H+].[Cl-].COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12 |
Synonym | yohimbine hydrochloride,antagonil,yohimbe,yohimbine hcl,aphrodine hydrochloride,yohimbine monohydrochloride,unii-nb2e1yp49f,yohimbin hydrochloride usp,nb2e1yp49f |
IUPAC Name | methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride |
InChI Key | PIPZGJSEDRMUAW-VJDCAHTMSA-N |
Molecular Formula | C21H27ClN2O3 |