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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).
Pyridines and derivatives (154)
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1 – 15 of 371 results
1

D-(+)-Biotin, 98+%

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

EDGE
PubChem CID 171548
CAS 58-85-5
Molecular Weight (g/mol) 244.31
ChEBI CHEBI:15956
MDL Number MFCD00005541
SMILES OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI Key YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula C10H16N2O3S
2

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

EDGE
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
3

N-Hydroxysuccinimide, 98+%

CAS: 6066-82-6 Molecular Formula: C4H5NO3 Molecular Weight (g/mol): 115.088 MDL Number: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Synonym: n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 PubChem CID: 80170 IUPAC Name: 1-hydroxypyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)O

EDGE
PubChem CID 80170
CAS 6066-82-6
Molecular Weight (g/mol) 115.088
MDL Number MFCD00005516
SMILES C1CC(=O)N(C1=O)O
Synonym n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604
IUPAC Name 1-hydroxypyrrolidine-2,5-dione
InChI Key NQTADLQHYWFPDB-UHFFFAOYSA-N
Molecular Formula C4H5NO3
4

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

EDGE
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
5

Serotonin hydrochloride, 98%

CAS: 153-98-0 Molecular Formula: C10H13ClN2O Molecular Weight (g/mol): 212.677 MDL Number: MFCD00012686 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Synonym: serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride PubChem CID: 160436 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl

EDGE
PubChem CID 160436
CAS 153-98-0
Molecular Weight (g/mol) 212.677
MDL Number MFCD00012686
SMILES C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
Synonym serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride
IUPAC Name 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride
InChI Key MDIGAZPGKJFIAH-UHFFFAOYSA-N
Molecular Formula C10H13ClN2O
7

Thermo Scientific Chemicals Thymidine-5'-monophosphate disodium salt

CAS: 33430-62-5 Molecular Formula: C10H13N2Na2O8P Molecular Weight (g/mol): 366.17 MDL Number: MFCD00023797 InChI Key: AGSQMPPRYZYDFV-ZJWYQBPBSA-L Synonym: tmp disodium PubChem CID: 131674985 IUPAC Name: disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate SMILES: [Na+].[Na+].CC1=CN([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)C(=O)NC1=O

PubChem CID 131674985
CAS 33430-62-5
Molecular Weight (g/mol) 366.17
MDL Number MFCD00023797
SMILES [Na+].[Na+].CC1=CN([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)C(=O)NC1=O
Synonym tmp disodium
IUPAC Name disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate
InChI Key AGSQMPPRYZYDFV-ZJWYQBPBSA-L
Molecular Formula C10H13N2Na2O8P
8

Vitamin B12, 98+% (dry wt basis)

CAS: 68-19-9 Molecular Formula: C63H89CoN14O14P Molecular Weight (g/mol): 1356.396 MDL Number: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]

PubChem CID 129893524
CAS 68-19-9
Molecular Weight (g/mol) 1356.396
MDL Number MFCD00151092
SMILES CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]
Synonym vitamin b12
IUPAC Name cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-
InChI Key AGVAZMGAQJOSFJ-WZHZPDAFSA-M
Molecular Formula C63H89CoN14O14P
9

Hemin (porcine), 97+%

CAS: 16009-13-5 Molecular Formula: C34H32ClFeN4O4 Molecular Weight (g/mol): 651.95 MDL Number: MFCD00010726 InChI Key: BTIJJDXEELBZFS-HXFTUNQESA-K Synonym: chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid SMILES: CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C

PubChem CID 131675604
CAS 16009-13-5
Molecular Weight (g/mol) 651.95
MDL Number MFCD00010726
SMILES CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C
Synonym chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin
IUPAC Name 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid
InChI Key BTIJJDXEELBZFS-HXFTUNQESA-K
Molecular Formula C34H32ClFeN4O4
10

D-Glucuronamide, 98%

CAS: 3789-97-7 Molecular Formula: C6H11NO6 Molecular Weight (g/mol): 193.155 MDL Number: MFCD00006619 InChI Key: VOIFKEWOFUNPBN-UHFFFAOYSA-N Synonym: glucuronamide,d-glucuronic acid amide,voifkewofunpbn-uhfffaoysa,3,4,5,6-tetrahydroxytetrahydro-2h-pyran-2-carboxamide non-preferred name PubChem CID: 3482 IUPAC Name: 3,4,5,6-tetrahydroxyoxane-2-carboxamide SMILES: C1(C(C(OC(C1O)O)C(=O)N)O)O

PubChem CID 3482
CAS 3789-97-7
Molecular Weight (g/mol) 193.155
MDL Number MFCD00006619
SMILES C1(C(C(OC(C1O)O)C(=O)N)O)O
Synonym glucuronamide,d-glucuronic acid amide,voifkewofunpbn-uhfffaoysa,3,4,5,6-tetrahydroxytetrahydro-2h-pyran-2-carboxamide non-preferred name
IUPAC Name 3,4,5,6-tetrahydroxyoxane-2-carboxamide
InChI Key VOIFKEWOFUNPBN-UHFFFAOYSA-N
Molecular Formula C6H11NO6
11

Cyanuric chloride, 98%

CAS: 108-77-0 Molecular Formula: C3Cl3N3 Molecular Weight (g/mol): 184.40 MDL Number: MFCD00006046 InChI Key: MGNCLNQXLYJVJD-UHFFFAOYSA-N Synonym: cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine PubChem CID: 7954 ChEBI: CHEBI:58964 SMILES: ClC1=NC(Cl)=NC(Cl)=N1

PubChem CID 7954
CAS 108-77-0
Molecular Weight (g/mol) 184.40
ChEBI CHEBI:58964
MDL Number MFCD00006046
SMILES ClC1=NC(Cl)=NC(Cl)=N1
Synonym cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine
InChI Key MGNCLNQXLYJVJD-UHFFFAOYSA-N
Molecular Formula C3Cl3N3
12

4(1H)-Pyrimidinone, 98%, Thermo Scientific Chemicals

CAS: 4562-27-0 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00006664 InChI Key: DNCYBUMDUBHIJZ-UHFFFAOYSA-N Synonym: pyrimidin-4-ol,4-hydroxypyrimidine,4-pyrimidinol,4 3h-pyrimidone,pyrimidin-4 3h-one,4 3h-pyrimidinone,4-pyrimidone,4 1h-pyrimidinone,4-pyrimidinone,deaminoisocytosine PubChem CID: 20695 IUPAC Name: 1H-pyrimidin-6-one SMILES: C1=CN=CNC1=O

PubChem CID 20695
CAS 4562-27-0
Molecular Weight (g/mol) 96.089
MDL Number MFCD00006664
SMILES C1=CN=CNC1=O
Synonym pyrimidin-4-ol,4-hydroxypyrimidine,4-pyrimidinol,4 3h-pyrimidone,pyrimidin-4 3h-one,4 3h-pyrimidinone,4-pyrimidone,4 1h-pyrimidinone,4-pyrimidinone,deaminoisocytosine
IUPAC Name 1H-pyrimidin-6-one
InChI Key DNCYBUMDUBHIJZ-UHFFFAOYSA-N
Molecular Formula C4H4N2O
13

Tetrahydropyran-4-carboxylic acid, 98%

CAS: 5337-03-1 MDL Number: MFCD00031016

CAS 5337-03-1
MDL Number MFCD00031016
14

4,6-O-Benzylidene-D-glucal, 97%, Thermo Scientific Chemicals

CAS: 14125-70-3 Molecular Formula: C13H14O4 Molecular Weight (g/mol): 234.25 MDL Number: MFCD00167506 InChI Key: XMDUTBYCCVWPLD-FVCCEPFGSA-N Synonym: 4,6-o-benzylidene-d-glucal,2s,4ar,8r,8as-2-phenyl-4,4a,8,8a-tetrahydropyrano 3,2-d 1,3 dioxin-8-ol PubChem CID: 7067543 IUPAC Name: (2S,4aR,8R,8aS)-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol SMILES: O[C@@H]1C=CO[C@@H]2CO[C@H](O[C@@H]12)C1=CC=CC=C1

PubChem CID 7067543
CAS 14125-70-3
Molecular Weight (g/mol) 234.25
MDL Number MFCD00167506
SMILES O[C@@H]1C=CO[C@@H]2CO[C@H](O[C@@H]12)C1=CC=CC=C1
Synonym 4,6-o-benzylidene-d-glucal,2s,4ar,8r,8as-2-phenyl-4,4a,8,8a-tetrahydropyrano 3,2-d 1,3 dioxin-8-ol
IUPAC Name (2S,4aR,8R,8aS)-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
InChI Key XMDUTBYCCVWPLD-FVCCEPFGSA-N
Molecular Formula C13H14O4
15

1,3-Diphenylisobenzofuran, 97%

CAS: 5471-63-6 Molecular Formula: C20H14O Molecular Weight (g/mol): 270.331 MDL Number: MFCD00005931 InChI Key: ZKSVYBRJSMBDMV-UHFFFAOYSA-N Synonym: 1,3-diphenylisobenzofuran,diphenylisobenzofuran,isobenzofuran, 1,3-diphenyl,1,3 diphenylisobenzofuran,2,5-diphenyl-3,4-benzofuran,acmc-209lj9,1,3-diphenylbenzo c furan,1,3-diphenylisobenzo b furan,1,3-di phenyl-2-benzofuran,# PubChem CID: 21649 IUPAC Name: 1,3-diphenyl-2-benzofuran SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4

PubChem CID 21649
CAS 5471-63-6
Molecular Weight (g/mol) 270.331
MDL Number MFCD00005931
SMILES C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4
Synonym 1,3-diphenylisobenzofuran,diphenylisobenzofuran,isobenzofuran, 1,3-diphenyl,1,3 diphenylisobenzofuran,2,5-diphenyl-3,4-benzofuran,acmc-209lj9,1,3-diphenylbenzo c furan,1,3-diphenylisobenzo b furan,1,3-di phenyl-2-benzofuran,#
IUPAC Name 1,3-diphenyl-2-benzofuran
InChI Key ZKSVYBRJSMBDMV-UHFFFAOYSA-N
Molecular Formula C20H14O