Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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1,4-Diazabicyclo[2.2.2]octane 98.0+%, TCI America™

CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.176 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2

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PubChem CID	9237
CAS	280-57-9
Molecular Weight (g/mol)	112.176
MDL Number	MFCD00006689
SMILES	C1CN2CCN1CC2
Synonym	1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25
IUPAC Name	1,4-diazabicyclo[2.2.2]octane
InChI Key	IMNIMPAHZVJRPE-UHFFFAOYSA-N
Molecular Formula	C6H12N2

2,2'-Bipyridine, ACS, 98%

CAS: 366-18-7 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00006212 InChI Key: ROFVEXUMMXZLPA-UHFFFAOYSA-N Synonym: 2,2'-bipyridine,2,2'-dipyridyl,2,2'-bipyridyl,bipyridine,2,2'-dipyridine,2-2-pyridyl pyridine,2,2'-bipyridin,alpha,alpha'-dipyridyl,alpha,alpha'-bipyridyl,2,2-bipyridyl PubChem CID: 1474 ChEBI: CHEBI:30351 SMILES: C1=CC=C(N=C1)C1=CC=CC=N1

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PubChem CID	1474
CAS	366-18-7
Molecular Weight (g/mol)	156.19
ChEBI	CHEBI:30351
MDL Number	MFCD00006212
SMILES	C1=CC=C(N=C1)C1=CC=CC=N1
Synonym	2,2'-bipyridine,2,2'-dipyridyl,2,2'-bipyridyl,bipyridine,2,2'-dipyridine,2-2-pyridyl pyridine,2,2'-bipyridin,alpha,alpha'-dipyridyl,alpha,alpha'-bipyridyl,2,2-bipyridyl
InChI Key	ROFVEXUMMXZLPA-UHFFFAOYSA-N
Molecular Formula	C10H8N2

Thermo Scientific Chemicals Fluorescein isothiocyanate, isomer 1, 95%

CAS: 3326-32-7 Molecular Formula: C21H11NO5S Molecular Weight (g/mol): 389.381 MDL Number: MFCD00005063 InChI Key: MHMNJMPURVTYEJ-UHFFFAOYSA-N Synonym: fitc,fluorescein isothiocyanate isomer i,5-isothiocyanatofluorescein,fluorescein 5-isothiocyanate,5-fitc,fluorescein-5-isothiocyanate,fluorescein 5 6-isothiocyanate,fitc isomer 1,unii-i223nx31w9,fitc isomer PubChem CID: 18730 ChEBI: CHEBI:37918 IUPAC Name: 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

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PubChem CID	18730
CAS	3326-32-7
Molecular Weight (g/mol)	389.381
ChEBI	CHEBI:37918
MDL Number	MFCD00005063
SMILES	C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
Synonym	fitc,fluorescein isothiocyanate isomer i,5-isothiocyanatofluorescein,fluorescein 5-isothiocyanate,5-fitc,fluorescein-5-isothiocyanate,fluorescein 5 6-isothiocyanate,fitc isomer 1,unii-i223nx31w9,fitc isomer
IUPAC Name	3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key	MHMNJMPURVTYEJ-UHFFFAOYSA-N
Molecular Formula	C21H11NO5S

Caffeine, 99.7%

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

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Specifications

PubChem CID	2519
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

5-Bromo-5-nitro-1,3-dioxane, 98%

CAS: 30007-47-7 Molecular Formula: C4H6BrNO4 Molecular Weight (g/mol): 211.999 MDL Number: MFCD00101855 InChI Key: XVBRCOKDZVQYAY-UHFFFAOYSA-N Synonym: bronidox,1,3-dioxane, 5-bromo-5-nitro,5-bromo-5-nitro-m-dioxane,unii-u184i9qbnm,5-brom-5-nitro-1,3-dioxan,m-dioxane, 5-bromo-5-nitro,5-brom-5-nitro-1,3-dioxan german,u184i9qbnm,bronidox l,acmc-209hcf PubChem CID: 1807 IUPAC Name: 5-bromo-5-nitro-1,3-dioxane SMILES: C1C(COCO1)([N+](=O)[O-])Br

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PubChem CID	1807
CAS	30007-47-7
Molecular Weight (g/mol)	211.999
MDL Number	MFCD00101855
SMILES	C1C(COCO1)([N+](=O)[O-])Br
Synonym	bronidox,1,3-dioxane, 5-bromo-5-nitro,5-bromo-5-nitro-m-dioxane,unii-u184i9qbnm,5-brom-5-nitro-1,3-dioxan,m-dioxane, 5-bromo-5-nitro,5-brom-5-nitro-1,3-dioxan german,u184i9qbnm,bronidox l,acmc-209hcf
IUPAC Name	5-bromo-5-nitro-1,3-dioxane
InChI Key	XVBRCOKDZVQYAY-UHFFFAOYSA-N
Molecular Formula	C4H6BrNO4

D-(+)-Cycloserine 98.0+%, TCI America™

CAS: 68-41-7 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.093 MDL Number: MFCD00005353 InChI Key: DYDCUQKUCUHJBH-UWTATZPHSA-N Synonym: d-cycloserine,cycloserine,seromycin,orientomycin,oxamycin,cyclorin,cyclo-d-serine,cicloserina,farmiserina,miroseryn PubChem CID: 6234 ChEBI: CHEBI:40009 IUPAC Name: (4R)-4-amino-1,2-oxazolidin-3-one SMILES: C1C(C(=O)NO1)N

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PubChem CID	6234
CAS	68-41-7
Molecular Weight (g/mol)	102.093
ChEBI	CHEBI:40009
MDL Number	MFCD00005353
SMILES	C1C(C(=O)NO1)N
Synonym	d-cycloserine,cycloserine,seromycin,orientomycin,oxamycin,cyclorin,cyclo-d-serine,cicloserina,farmiserina,miroseryn
IUPAC Name	(4R)-4-amino-1,2-oxazolidin-3-one
InChI Key	DYDCUQKUCUHJBH-UWTATZPHSA-N
Molecular Formula	C3H6N2O2

Thermo Scientific Chemicals D-Cycloserine, 98%

CAS: 68-41-7 Molecular Formula: C₃H₆N₂O₂ Molecular Weight (g/mol): 102.09 MDL Number: MFCD00005353 InChI Key: DYDCUQKUCUHJBH-UWTATZPHSA-N Synonym: d-cycloserine,cycloserine,seromycin,orientomycin,oxamycin,cyclorin,cyclo-d-serine,cicloserina,farmiserina,miroseryn PubChem CID: 6234 ChEBI: CHEBI:40009 IUPAC Name: (4R)-4-amino-1,2-oxazolidin-3-one SMILES: C1C(C(=O)NO1)N

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Specifications

PubChem CID	6234
CAS	68-41-7
Molecular Weight (g/mol)	102.09
ChEBI	CHEBI:40009
MDL Number	MFCD00005353
SMILES	C1C(C(=O)NO1)N
Synonym	d-cycloserine,cycloserine,seromycin,orientomycin,oxamycin,cyclorin,cyclo-d-serine,cicloserina,farmiserina,miroseryn
IUPAC Name	(4R)-4-amino-1,2-oxazolidin-3-one
InChI Key	DYDCUQKUCUHJBH-UWTATZPHSA-N
Molecular Formula	C₃H₆N₂O₂

Thermo Scientific Chemicals L-Nicotine, 99+%

CAS: 54-11-5 Molecular Formula: C₁₀H₁₄N₂ Molecular Weight (g/mol): 162.23 InChI Key: SNICXCGAKADSCV-JTQLQIEISA-N Synonym: nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq PubChem CID: 89594 ChEBI: CHEBI:17688 IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine SMILES: CN1CCCC1C2=CN=CC=C2

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PubChem CID	89594
CAS	54-11-5
Molecular Weight (g/mol)	162.23
ChEBI	CHEBI:17688
SMILES	CN1CCCC1C2=CN=CC=C2
Synonym	nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq
IUPAC Name	3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
InChI Key	SNICXCGAKADSCV-JTQLQIEISA-N
Molecular Formula	C₁₀H₁₄N₂

Bathocuproin sulfonate disodium salt hydrate, 97%

CAS: 52698-84-7 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 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

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PubChem CID	15678335
CAS	52698-84-7
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
InChI Key	RNGKZLRAVYPLJC-UHFFFAOYSA-L
Molecular Formula	C26H18N2Na2O6S2

Thermo Scientific Chemicals Adenine, 99%

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

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PubChem CID	190
CAS	73-24-5
Molecular Weight (g/mol)	135.13
ChEBI	CHEBI:16708
MDL Number	MFCD00041790
SMILES	NC1=C2NC=NC2=NC=N1
Synonym	adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name	7H-purin-6-amine
InChI Key	GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula	C5H5N5

1,10-Phenanthroline monohydrate, ACS reagent

CAS: 5144-89-8 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00149973 InChI Key: PPQJCISYYXZCAE-UHFFFAOYSA-N PubChem CID: 21226 SMILES: O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1

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Specifications

PubChem CID	21226
CAS	5144-89-8
Molecular Weight (g/mol)	198.23
MDL Number	MFCD00149973
SMILES	O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
InChI Key	PPQJCISYYXZCAE-UHFFFAOYSA-N
Molecular Formula	C12H10N2O

Cytochrome C, MP Biomedicals™

CAS: 9007-43-6 Molecular Formula: C40H48FeN6O6S4 Molecular Weight (g/mol): 892.94 MDL Number: MFCD00130890 InChI Key: UMUOLVQYJUIZKD-RHANTFMNSA-L Synonym: cytochrome c,3-7,12-bis 1-2-amino-3-methylamino-3-oxopropyl sulfanylethyl-18-2-carboxyethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl propanoic acid; iron 2+ PubChem CID: 16057918 SMILES: CC(SC(=O)[C@@H](N)CS)C1=C(C)\C2=C\C3=C(C(C)SC(=O)[C@@H](N)CS)C(C)=C4CC5N=C(\C=C6/N([Fe++]N34)\C(=C/C1=N2)C(C)=C6CCC(O)=O)C(CCC(O)=O)=C5C

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PubChem CID	16057918
CAS	9007-43-6
Molecular Weight (g/mol)	892.94
MDL Number	MFCD00130890
SMILES	CC(SC(=O)[C@@H](N)CS)C1=C(C)\C2=C\C3=C(C(C)SC(=O)[C@@H](N)CS)C(C)=C4CC5N=C(\C=C6/N([Fe++]N34)\C(=C/C1=N2)C(C)=C6CCC(O)=O)C(CCC(O)=O)=C5C
Synonym	cytochrome c,3-7,12-bis 1-2-amino-3-methylamino-3-oxopropyl sulfanylethyl-18-2-carboxyethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl propanoic acid; iron 2+
InChI Key	UMUOLVQYJUIZKD-RHANTFMNSA-L
Molecular Formula	C40H48FeN6O6S4

Indole, 99+%

CAS: 120-72-9 MDL Number: MFCD00005607 InChI Key: SIKJAQJRHWYJAI-UHFFFAOYSA-N Synonym: indole,indol,2,3-benzopyrrole,1-benzazole,ketole,1-azaindene,benzopyrrole,2,3-benzopyrole,caswell no. 498b,indol german PubChem CID: 798 ChEBI: CHEBI:16881 IUPAC Name: 1H-indole SMILES: C1=CC=C2C(=C1)C=CN2

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Specifications

PubChem CID	798
CAS	120-72-9
ChEBI	CHEBI:16881
MDL Number	MFCD00005607
SMILES	C1=CC=C2C(=C1)C=CN2
Synonym	indole,indol,2,3-benzopyrrole,1-benzazole,ketole,1-azaindene,benzopyrrole,2,3-benzopyrole,caswell no. 498b,indol german
IUPAC Name	1H-indole
InChI Key	SIKJAQJRHWYJAI-UHFFFAOYSA-N

Furfuryl Alcohol, 98%

CAS: 98-00-0 Molecular Formula: C₅H₆O₂ Molecular Weight (g/mol): 98.1 MDL Number: MFCD00003252 InChI Key: XPFVYQJUAUNWIW-UHFFFAOYSA-N Synonym: furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran PubChem CID: 7361 ChEBI: CHEBI:207496 IUPAC Name: furan-2-ylmethanol SMILES: C1=COC(=C1)CO

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Specifications

PubChem CID	7361
CAS	98-00-0
Molecular Weight (g/mol)	98.1
ChEBI	CHEBI:207496
MDL Number	MFCD00003252
SMILES	C1=COC(=C1)CO
Synonym	furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran
IUPAC Name	furan-2-ylmethanol
InChI Key	XPFVYQJUAUNWIW-UHFFFAOYSA-N
Molecular Formula	C₅H₆O₂

Pyridoxal hydrochloride, 99%

CAS: 65-22-5 Molecular Formula: C8H10ClNO3 Molecular Weight (g/mol): 203.622 MDL Number: MFCD00012809 InChI Key: FCHXJFJNDJXENQ-UHFFFAOYSA-N Synonym: pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride PubChem CID: 6171 IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride SMILES: CC1=NC=C(C(=C1O)C=O)CO.Cl

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Specifications

PubChem CID	6171
CAS	65-22-5
Molecular Weight (g/mol)	203.622
MDL Number	MFCD00012809
SMILES	CC1=NC=C(C(=C1O)C=O)CO.Cl
Synonym	pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride
IUPAC Name	3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride
InChI Key	FCHXJFJNDJXENQ-UHFFFAOYSA-N
Molecular Formula	C8H10ClNO3

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