Organoheterocyclic compounds
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Pyridoxine hydrochloride, 99%
CAS: 58-56-0 Formula molecolare: C8H12ClNO3 Molecular Weight (g/mol): 205.638 Numero MDL: MFCD00012807 InChI Key: ZUFQODAHGAHPFQ-UHFFFAOYSA-N Sinonimo: 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
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| Sinonimo | pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion |
|---|---|
| Numero MDL | MFCD00012807 |
| PubChem CID | 6019 |
| Formula molecolare | C8H12ClNO3 |
| CAS | 58-56-0 |
| Molecular Weight (g/mol) | 205.638 |
| ChEBI | CHEBI:30961 |
| SMILES | CC1=NC=C(C(=C1O)CO)CO.Cl |
| IUPAC Name | 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride |
| InChI Key | ZUFQODAHGAHPFQ-UHFFFAOYSA-N |
Isonicotinic acid, 99%
CAS: 55-22-1 Formula molecolare: C6H5NO2 Molecular Weight (g/mol): 123.11 InChI Key: TWBYWOBDOCUKOW-UHFFFAOYSA-N Sinonimo: isonicotinic acid,4-pyridinecarboxylic acid,4-picolinic acid,4-carboxypyridine,p-pyridinecarboxylic acid,gamma-picolinic acid,gamma-pyridinecarboxylic acid,acide iso-nicotinique,1,4-dihydroisonicotinic acid,acide iso-nicotinique french PubChem CID: 5922 ChEBI: CHEBI:6032 IUPAC Name: pyridine-4-carboxylic acid SMILES: C1=CN=CC=C1C(=O)O
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| Sinonimo | isonicotinic acid,4-pyridinecarboxylic acid,4-picolinic acid,4-carboxypyridine,p-pyridinecarboxylic acid,gamma-picolinic acid,gamma-pyridinecarboxylic acid,acide iso-nicotinique,1,4-dihydroisonicotinic acid,acide iso-nicotinique french |
|---|---|
| PubChem CID | 5922 |
| Formula molecolare | C6H5NO2 |
| CAS | 55-22-1 |
| Molecular Weight (g/mol) | 123.11 |
| ChEBI | CHEBI:6032 |
| SMILES | C1=CN=CC=C1C(=O)O |
| IUPAC Name | pyridine-4-carboxylic acid |
| InChI Key | TWBYWOBDOCUKOW-UHFFFAOYSA-N |
Thermo Scientific Chemicals Cyanocobalamin, 96%
CAS: 68-19-9 Formula molecolare: C63H88CoN14O14P Molecular Weight (g/mol): 1355.38 Numero MDL: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Sinonimo: 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]
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| Sinonimo | vitamin b12 |
|---|---|
| Numero MDL | MFCD00151092 |
| PubChem CID | 129893524 |
| Formula molecolare | C63H88CoN14O14P |
| CAS | 68-19-9 |
| Molecular Weight (g/mol) | 1355.38 |
| 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] |
| 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 |
N-Vinyl-2-pyrrolidone, 99%, stabilized with NaOH
CAS: 88-12-0 Formula molecolare: C6H9NO Molecular Weight (g/mol): 111.14 Numero MDL: MFCD00003197 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Sinonimo: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: C=CN1CCCC1=O
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| Sinonimo | n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone |
|---|---|
| Numero MDL | MFCD00003197 |
| PubChem CID | 6917 |
| Formula molecolare | C6H9NO |
| CAS | 88-12-0 |
| Molecular Weight (g/mol) | 111.14 |
| ChEBI | CHEBI:82551 |
| SMILES | C=CN1CCCC1=O |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
N-Hydroxysuccinimide, 98+%
CAS: 6066-82-6 Formula molecolare: C4H5NO3 Molecular Weight (g/mol): 115.088 Numero MDL: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Sinonimo: 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
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| Sinonimo | 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 |
|---|---|
| Numero MDL | MFCD00005516 |
| PubChem CID | 80170 |
| Formula molecolare | C4H5NO3 |
| CAS | 6066-82-6 |
| Molecular Weight (g/mol) | 115.088 |
| SMILES | C1CC(=O)N(C1=O)O |
| IUPAC Name | 1-hydroxypyrrolidine-2,5-dione |
| InChI Key | NQTADLQHYWFPDB-UHFFFAOYSA-N |
Serotonin hydrochloride, 98%
CAS: 153-98-0 Formula molecolare: C10H13ClN2O Molecular Weight (g/mol): 212.677 Numero MDL: MFCD00012686 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Sinonimo: 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
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| Sinonimo | 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 |
|---|---|
| Numero MDL | MFCD00012686 |
| PubChem CID | 160436 |
| Formula molecolare | C10H13ClN2O |
| CAS | 153-98-0 |
| Molecular Weight (g/mol) | 212.677 |
| SMILES | C1=CC2=C(C=C1O)C(=CN2)CCN.Cl |
| IUPAC Name | 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride |
| InChI Key | MDIGAZPGKJFIAH-UHFFFAOYSA-N |
Thermo Scientific Chemicals DL-Thioctic Acid, 98+%
CAS: 1077-28-7 Formula molecolare: C8H14O2S2 Molecular Weight (g/mol): 206.32 Numero MDL: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Sinonimo: 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
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| Sinonimo | 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 |
|---|---|
| Numero MDL | MFCD00005474 |
| PubChem CID | 864 |
| Formula molecolare | C8H14O2S2 |
| CAS | 1077-28-7 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:16494 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| IUPAC Name | 5-(dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
3-Aminophthalhydrazide, 98%
CAS: 521-31-3 Formula molecolare: C8H7N3O2 Molecular Weight (g/mol): 177.163 Numero MDL: MFCD00006890 InChI Key: HWYHZTIRURJOHG-UHFFFAOYSA-N Sinonimo: 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
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| Sinonimo | 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 |
|---|---|
| Numero MDL | MFCD00006890 |
| PubChem CID | 10638 |
| Formula molecolare | C8H7N3O2 |
| CAS | 521-31-3 |
| Molecular Weight (g/mol) | 177.163 |
| SMILES | C1=CC2=C(C(=C1)N)C(=O)NNC2=O |
| IUPAC Name | 5-amino-2,3-dihydrophthalazine-1,4-dione |
| InChI Key | HWYHZTIRURJOHG-UHFFFAOYSA-N |
Quinine, 98+%, anhydrous
CAS: 130-95-0 Formula molecolare: C20H24N2O2 Molecular Weight (g/mol): 324.42 Numero MDL: MFCD00198096 InChI Key: LOUPRKONTZGTKE-ZCXAXGJJNA-N Sinonimo: 1r-6-methoxyquinolin-4-yl 1s,4s,5r-5-vinylquinuclidin-2-yl methanol,quinine anhydrous,+-2,3-o-isopropylidene-l-threitol PubChem CID: 129316724 IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(trideuteriomethoxy)quinolin-4-yl]methanol SMILES: [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
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| Sinonimo | 1r-6-methoxyquinolin-4-yl 1s,4s,5r-5-vinylquinuclidin-2-yl methanol,quinine anhydrous,+-2,3-o-isopropylidene-l-threitol |
|---|---|
| Numero MDL | MFCD00198096 |
| PubChem CID | 129316724 |
| Formula molecolare | C20H24N2O2 |
| CAS | 130-95-0 |
| Molecular Weight (g/mol) | 324.42 |
| SMILES | [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C |
| IUPAC Name | (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(trideuteriomethoxy)quinolin-4-yl]methanol |
| InChI Key | LOUPRKONTZGTKE-ZCXAXGJJNA-N |
Caffeine, 98.5%, specified according to the req. of USP/BP
CAS: 58-08-2 Formula molecolare: C8H10N4O2 Molecular Weight (g/mol): 194.19 Numero MDL: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Sinonimo: 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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| Sinonimo | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
|---|---|
| Numero MDL | MFCD00005758 |
| PubChem CID | 2519 |
| Formula molecolare | C8H10N4O2 |
| CAS | 58-08-2 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:27732 |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
D-Biotin, Fisher BioReagents
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Thermo Scientific Chemicals D(+)-Biotin, 98%
CAS: 58-85-5 Formula molecolare: C10H16N2O3S Molecular Weight (g/mol): 244.31 Numero MDL: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Sinonimo: 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
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| Sinonimo | biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin |
|---|---|
| Numero MDL | MFCD00005541 |
| PubChem CID | 171548 |
| Formula molecolare | C10H16N2O3S |
| CAS | 58-85-5 |
| Molecular Weight (g/mol) | 244.31 |
| ChEBI | CHEBI:15956 |
| SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
| 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 |
Nicotinic acid, 99.5%
CAS: 59-67-6 Formula molecolare: C6H5NO2 Molecular Weight (g/mol): 123.11 Numero MDL: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Sinonimo: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1
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| Sinonimo | nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil |
|---|---|
| Numero MDL | MFCD00006391 |
| PubChem CID | 938 |
| Formula molecolare | C6H5NO2 |
| CAS | 59-67-6 |
| Molecular Weight (g/mol) | 123.11 |
| ChEBI | CHEBI:15940 |
| SMILES | OC(=O)C1=CC=CN=C1 |
| IUPAC Name | pyridine-3-carboxylic acid |
| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
Thermo Scientific Chemicals Rose Bengal
CAS: 632-69-9 Formula molecolare: C20H4Cl4I4Na2O5 Molecular Weight (g/mol): 1019.644 Numero MDL: MFCD00151169 InChI Key: DPBQSRZQYAYDGY-UHFFFAOYSA-N Sinonimo: rose bengal disodium salt,r105 sodium,rose bengal sodium,rose-bengal 131 i natrium,food red no. 105, sodium salt,food red color no. 105, sodium salt,rosa bengala sodica 131 i inn-spanish,rose bengale 131 i sodique inn-french,sel disodique de rose bengale iodee 131 i,roseum bengalense 131 i natricum inn-latin PubChem CID: 87244310 IUPAC Name: sodium;4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.[Na].[Na]
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| Sinonimo | rose bengal disodium salt,r105 sodium,rose bengal sodium,rose-bengal 131 i natrium,food red no. 105, sodium salt,food red color no. 105, sodium salt,rosa bengala sodica 131 i inn-spanish,rose bengale 131 i sodique inn-french,sel disodique de rose bengale iodee 131 i,roseum bengalense 131 i natricum inn-latin |
|---|---|
| Numero MDL | MFCD00151169 |
| PubChem CID | 87244310 |
| Formula molecolare | C20H4Cl4I4Na2O5 |
| CAS | 632-69-9 |
| Molecular Weight (g/mol) | 1019.644 |
| SMILES | C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.[Na].[Na] |
| IUPAC Name | sodium;4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one |
| InChI Key | DPBQSRZQYAYDGY-UHFFFAOYSA-N |
Thermo Scientific Chemicals Phenolphthalein, 98%
CAS: 77-09-8 Formula molecolare: C20H14O4 Molecular Weight (g/mol): 318.33 Numero MDL: MFCD00005913 InChI Key: KJFMBFZCATUALV-UHFFFAOYSA-N Sinonimo: phenolphthalein,phthalimetten,euchessina,phthalin,espotabs,phenolax,purgophen,koprol,laxogen,trilax PubChem CID: 4764 ChEBI: CHEBI:34914 SMILES: OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1
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| Sinonimo | phenolphthalein,phthalimetten,euchessina,phthalin,espotabs,phenolax,purgophen,koprol,laxogen,trilax |
|---|---|
| Numero MDL | MFCD00005913 |
| PubChem CID | 4764 |
| Formula molecolare | C20H14O4 |
| CAS | 77-09-8 |
| Molecular Weight (g/mol) | 318.33 |
| ChEBI | CHEBI:34914 |
| SMILES | OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1 |
| InChI Key | KJFMBFZCATUALV-UHFFFAOYSA-N |