Organoheterocyclic compounds
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Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%
CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 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 |
|---|---|
| CAS | 67-03-8 |
| Molecular Weight (g/mol) | 337.26 |
| ChEBI | CHEBI:49105 |
| MDL Number | MFCD00012780 |
| 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 | C12H17ClN4OS·HCl |
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
| 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 |
Pyridoxine hydrochloride, 99%
CAS: 58-56-0 Molecular Formula: C8H12ClNO3 Molecular Weight (g/mol): 205.638 MDL Number: MFCD00012807 InChI Key: ZUFQODAHGAHPFQ-UHFFFAOYSA-N Synonym: pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion PubChem CID: 6019 ChEBI: CHEBI:30961 IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride SMILES: CC1=NC=C(C(=C1O)CO)CO.Cl
| PubChem CID | 6019 |
|---|---|
| CAS | 58-56-0 |
| Molecular Weight (g/mol) | 205.638 |
| ChEBI | CHEBI:30961 |
| MDL Number | MFCD00012807 |
| SMILES | CC1=NC=C(C(=C1O)CO)CO.Cl |
| Synonym | pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion |
| IUPAC Name | 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride |
| InChI Key | ZUFQODAHGAHPFQ-UHFFFAOYSA-N |
| Molecular Formula | C8H12ClNO3 |
Melamine, 99%
CAS: 108-78-1 Molecular Formula: C3H6N6 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00006055 InChI Key: JDSHMPZPIAZGSV-UHFFFAOYSA-N Synonym: melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr PubChem CID: 7955 ChEBI: CHEBI:27915 IUPAC Name: 1,3,5-triazine-2,4,6-triamine SMILES: NC1=NC(N)=NC(N)=N1
| PubChem CID | 7955 |
|---|---|
| CAS | 108-78-1 |
| Molecular Weight (g/mol) | 126.12 |
| ChEBI | CHEBI:27915 |
| MDL Number | MFCD00006055 |
| SMILES | NC1=NC(N)=NC(N)=N1 |
| Synonym | melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr |
| IUPAC Name | 1,3,5-triazine-2,4,6-triamine |
| InChI Key | JDSHMPZPIAZGSV-UHFFFAOYSA-N |
| Molecular Formula | C3H6N6 |
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 |
Thiazolyl blue tetrazolium bromide, 98%
CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 64965 |
|---|---|
| CAS | 298-93-1 |
| Molecular Weight (g/mol) | 414.33 |
| ChEBI | CHEBI:53233 |
| MDL Number | MFCD00011964,MFCD00066662 |
| SMILES | [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i |
| InChI Key | AZKSAVLVSZKNRD-UHFFFAOYSA-M |
| Molecular Formula | C18H16BrN5S |
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
| 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 |
2,6-Pyridinedicarboxylic Acid, 99%
CAS: 499-83-2 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006299 InChI Key: WJJMNDUMQPNECX-UHFFFAOYSA-N Synonym: 2,6-pyridinedicarboxylic acid,dipicolinic acid,2,6-dipicolinic acid,dipicolinate,2,6-dicarboxypyridine,2,6-pyridinedicarboxylate,unii-ue81s5cq0g,2,6-pyridinedicarboxylicacid,ue81s5cq0g,2,6-pyridinedicarboxylic acid dipicolinic acid PubChem CID: 10367 ChEBI: CHEBI:46837 IUPAC Name: pyridine-2,6-dicarboxylic acid SMILES: C1=CC(=NC(=C1)C(=O)O)C(=O)O
| PubChem CID | 10367 |
|---|---|
| CAS | 499-83-2 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:46837 |
| MDL Number | MFCD00006299 |
| SMILES | C1=CC(=NC(=C1)C(=O)O)C(=O)O |
| Synonym | 2,6-pyridinedicarboxylic acid,dipicolinic acid,2,6-dipicolinic acid,dipicolinate,2,6-dicarboxypyridine,2,6-pyridinedicarboxylate,unii-ue81s5cq0g,2,6-pyridinedicarboxylicacid,ue81s5cq0g,2,6-pyridinedicarboxylic acid dipicolinic acid |
| IUPAC Name | pyridine-2,6-dicarboxylic acid |
| InChI Key | WJJMNDUMQPNECX-UHFFFAOYSA-N |
3-Aminophthalhydrazide, 98%
CAS: 521-31-3 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.163 MDL Number: MFCD00006890 InChI Key: HWYHZTIRURJOHG-UHFFFAOYSA-N Synonym: luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide PubChem CID: 10638 IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
| PubChem CID | 10638 |
|---|---|
| CAS | 521-31-3 |
| Molecular Weight (g/mol) | 177.163 |
| MDL Number | MFCD00006890 |
| SMILES | C1=CC2=C(C(=C1)N)C(=O)NNC2=O |
| Synonym | luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide |
| IUPAC Name | 5-amino-2,3-dihydrophthalazine-1,4-dione |
| InChI Key | HWYHZTIRURJOHG-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3O2 |
Thermo Scientific Chemicals DL-Thioctic Acid, 98+%
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| PubChem CID | 864 |
|---|---|
| CAS | 1077-28-7 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:16494 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| Synonym | dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid |
| IUPAC Name | 5-(dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
2,4-Dimethyl-3-ethylpyrrole, 96%
CAS: 517-22-6 MDL Number: MFCD00005222 InChI Key: ZEBBLOXDLGIMEG-UHFFFAOYSA-N Synonym: 2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference PubChem CID: 10600 IUPAC Name: 3-ethyl-2,4-dimethyl-1H-pyrrole SMILES: CCC1=C(NC=C1C)C
| PubChem CID | 10600 |
|---|---|
| CAS | 517-22-6 |
| MDL Number | MFCD00005222 |
| SMILES | CCC1=C(NC=C1C)C |
| Synonym | 2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference |
| IUPAC Name | 3-ethyl-2,4-dimethyl-1H-pyrrole |
| InChI Key | ZEBBLOXDLGIMEG-UHFFFAOYSA-N |
Thermo Scientific Chemicals Fluorescein diacetate, 97%, pure
CAS: 596-09-8 Molecular Formula: C24H16O7 Molecular Weight (g/mol): 416.39 MDL Number: MFCD00005062 InChI Key: CHADEQDQBURGHL-UHFFFAOYSA-N Synonym: fluorescein diacetate,3,6-diacetoxyfluoran,diacetylfluorescein,di-o-acetylfluorescein,fluorescein, diacetate,3',6'-diacetylfluorescein,unii-yl39r93pre,yl39r93pre,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 3',6'-bis acetyloxy,3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-3',6'-diyl diacetate PubChem CID: 65047 IUPAC Name: (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3
| PubChem CID | 65047 |
|---|---|
| CAS | 596-09-8 |
| Molecular Weight (g/mol) | 416.39 |
| MDL Number | MFCD00005062 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3 |
| Synonym | fluorescein diacetate,3,6-diacetoxyfluoran,diacetylfluorescein,di-o-acetylfluorescein,fluorescein, diacetate,3',6'-diacetylfluorescein,unii-yl39r93pre,yl39r93pre,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 3',6'-bis acetyloxy,3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-3',6'-diyl diacetate |
| IUPAC Name | (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate |
| InChI Key | CHADEQDQBURGHL-UHFFFAOYSA-N |
| Molecular Formula | C24H16O7 |
9-Hydroxyxanthene, 97+%
CAS: 90-46-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00005057 InChI Key: JFRMYMMIJXLMBB-UHFFFAOYSA-N Synonym: 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol PubChem CID: 72861 IUPAC Name: 9H-xanthen-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
| PubChem CID | 72861 |
|---|---|
| CAS | 90-46-0 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00005057 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O |
| Synonym | 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol |
| IUPAC Name | 9H-xanthen-9-ol |
| InChI Key | JFRMYMMIJXLMBB-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
Thermo Scientific Chemicals Fluorescein
CAS: 2321-07-5 Molecular Formula: C20H12O5 Molecular Weight (g/mol): 332.31 MDL Number: MFCD00005050 InChI Key: GNBHRKFJIUUOQI-UHFFFAOYSA-N Synonym: fluorescein,solvent yellow 94,resorcinolphthalein,yellow fluorescein,3,6-fluorandiol,d and c yellow no. 7,fluoresceine,japan yellow 201,c.i. solvent yellow 94,d&c yellow no. 7 PubChem CID: 16850 ChEBI: CHEBI:31624 IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
| PubChem CID | 16850 |
|---|---|
| CAS | 2321-07-5 |
| Molecular Weight (g/mol) | 332.31 |
| ChEBI | CHEBI:31624 |
| MDL Number | MFCD00005050 |
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O |
| Synonym | fluorescein,solvent yellow 94,resorcinolphthalein,yellow fluorescein,3,6-fluorandiol,d and c yellow no. 7,fluoresceine,japan yellow 201,c.i. solvent yellow 94,d&c yellow no. 7 |
| IUPAC Name | 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one |
| InChI Key | GNBHRKFJIUUOQI-UHFFFAOYSA-N |
| Molecular Formula | C20H12O5 |