Compuestos organoheterocíclicos

Compuestos organoheterocíclicos


























































































































Thermo Scientific Chemicals Clorhidrato de tiamina, 98,5-101,5 %
CAS: 67-03-8 Fórmula molecular: C12H17ClN4OS·HCl Peso molecular (g/mol): 337.26 Número MDL: MFCD00012780 Clave InChI: DPJRMOMPQZCRJU-UHFFFAOYSA-M Sinónimo: hidrocloruro de tiamina,bidrocloruro de vitamina b1,hcl de tiamina,hidrocloruro de anorina,berina,clorhidrato de cloruro de tiamina,cloruro de tiamina,dicloruro de tiamina,cloruro de tiaminio,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 Nombre IUPAC: 2-[3-[(4-amino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanol;cloruro;clorhidrato SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Sinónimo | hidrocloruro de tiamina,bidrocloruro de vitamina b1,hcl de tiamina,hidrocloruro de anorina,berina,clorhidrato de cloruro de tiamina,cloruro de tiamina,dicloruro de tiamina,cloruro de tiaminio,thiaminium chloride |
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Clave InChI | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
PubChem CID | 6202 |
Fórmula molecular | C12H17ClN4OS·HCl |
CAS | 67-03-8 |
ChEBI | CHEBI:49105 |
Peso molecular (g/mol) | 337.26 |
Número MDL | MFCD00012780 |
SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
Nombre IUPAC | 2-[3-[(4-amino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanol;cloruro;clorhidrato |
Thermo Scientific Alfa Aesar 3-Aminoftalhidracida, 98 %, Thermo Scientific Chemicals
CAS: 521-31-3 Fórmula molecular: C8H7N3O2 Peso molecular (g/mol): 177.163 Número MDL: MFCD00006890 Clave InChI: HWYHZTIRURJOHG-UHFFFAOYSA-N Sinónimo: 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 Nombre IUPAC: 5-amino-2,3-dihidroftalacina-1,4-diona SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
Sinónimo | 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 |
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Clave InChI | HWYHZTIRURJOHG-UHFFFAOYSA-N |
PubChem CID | 10638 |
Fórmula molecular | C8H7N3O2 |
CAS | 521-31-3 |
Peso molecular (g/mol) | 177.163 |
Número MDL | MFCD00006890 |
SMILES | C1=CC2=C(C(=C1)N)C(=O)NNC2=O |
Nombre IUPAC | 5-amino-2,3-dihidroftalacina-1,4-diona |
Thermo Scientific Alfa Aesar Cafeína, 99,7 %, Thermo Scientific Chemicals
CAS: 58-08-2 Fórmula molecular: C8H10N4O2 Peso molecular (g/mol): 194.19 Número MDL: MFCD00005758 Clave InChI: RYYVLZVUVIJVGH-UHFFFAOYSA-N Sinónimo: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 Nombre IUPAC: 1,3,7-trimetilpurina-2,6-diona SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Sinónimo | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
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Clave InChI | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
PubChem CID | 2519 |
Fórmula molecular | C8H10N4O2 |
CAS | 58-08-2 |
ChEBI | CHEBI:27732 |
Peso molecular (g/mol) | 194.19 |
Número MDL | MFCD00005758 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
Nombre IUPAC | 1,3,7-trimetilpurina-2,6-diona |
Thermo Scientific Alfa Aesar Melamina, 99 %, Thermo Scientific Chemicals
CAS: 108-78-1 Fórmula molecular: C3H6N6 Peso molecular (g/mol): 126.12 Número MDL: MFCD00006055 Clave InChI: JDSHMPZPIAZGSV-UHFFFAOYSA-N Sinónimo: melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr PubChem CID: 7955 ChEBI: CHEBI:27915 Nombre IUPAC: 1,3,5-triazina-2,4,6-triamina SMILES: NC1=NC(N)=NC(N)=N1
Sinónimo | melamine,cyanurotriamide,cyanuramide,cyanurotriamine,isomelamine,theoharn,teoharn,triaminotriazine,cyanuric triamide,hicophor pr |
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Clave InChI | JDSHMPZPIAZGSV-UHFFFAOYSA-N |
PubChem CID | 7955 |
Fórmula molecular | C3H6N6 |
CAS | 108-78-1 |
ChEBI | CHEBI:27915 |
Peso molecular (g/mol) | 126.12 |
Número MDL | MFCD00006055 |
SMILES | NC1=NC(N)=NC(N)=N1 |
Nombre IUPAC | 1,3,5-triazina-2,4,6-triamina |
Thermo Scientific Alfa Aesar Vitamina B12, + 98 % (base de peso seco), Thermo Scientific Chemicals
CAS: 68-19-9 Fórmula molecular: C63H89CoN14O14P Peso molecular (g/mol): 1356.396 Número MDL: MFCD00151092 Clave InChI: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Sinónimo: vitamin b12 PubChem CID: 129893524 Nombre IUPAC: (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: 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]
Sinónimo | vitamin b12 |
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Clave InChI | AGVAZMGAQJOSFJ-WZHZPDAFSA-M |
PubChem CID | 129893524 |
Fórmula molecular | C63H89CoN14O14P |
CAS | 68-19-9 |
Peso molecular (g/mol) | 1356.396 |
Número MDL | 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] |
Nombre IUPAC | (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 |
Thermo Scientific Alfa Aesar Clorhidrato de serotonina, 98 %, Thermo Scientific Chemicals
CAS: 153-98-0 Fórmula molecular: C10H13ClN2O Peso molecular (g/mol): 212.677 Número MDL: MFCD00012686 Clave InChI: MDIGAZPGKJFIAH-UHFFFAOYSA-N Sinónimo: 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 Nombre IUPAC: 3-(2-aminoetil)-1H-indol-5-ol; clorhidrato SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
Sinónimo | 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 |
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Clave InChI | MDIGAZPGKJFIAH-UHFFFAOYSA-N |
PubChem CID | 160436 |
Fórmula molecular | C10H13ClN2O |
CAS | 153-98-0 |
Peso molecular (g/mol) | 212.677 |
Número MDL | MFCD00012686 |
SMILES | C1=CC2=C(C=C1O)C(=CN2)CCN.Cl |
Nombre IUPAC | 3-(2-aminoetil)-1H-indol-5-ol; clorhidrato |
Thermo Scientific Alfa Aesar Yoduro de propidio,/ml solución acuosa, Thermo Scientific Chemicals

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MP Biomedicals Citocromo C de corazón de caballo, MP Biomedicals
CAS: 9007-43-6 Fórmula molecular: C40H48FeN6O6S4 Peso molecular (g/mol): 892.94 Número MDL: MFCD00130890 Clave InChI: UMUOLVQYJUIZKD-RHANTFMNSA-L Sinónimo: 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 Nombre IUPAC: Ácido 3-[8,13-bis[1-[2-amino-3-(metilamino)-3-oxopropil]sulfaniletil]-18-(2-carboxietil)-3,7,12,17-tetrametilporfirin-21,24-diid-2-il]propanoico;hierro(2+) 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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Sinónimo | 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+ |
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Clave InChI | UMUOLVQYJUIZKD-RHANTFMNSA-L |
PubChem CID | 16057918 |
Fórmula molecular | C40H48FeN6O6S4 |
CAS | 9007-43-6 |
Peso molecular (g/mol) | 892.94 |
Número MDL | 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 |
Nombre IUPAC | Ácido 3-[8,13-bis[1-[2-amino-3-(metilamino)-3-oxopropil]sulfaniletil]-18-(2-carboxietil)-3,7,12,17-tetrametilporfirin-21,24-diid-2-il]propanoico;hierro(2+) |
Thermo Scientific Alfa Aesar Imidazol, 99 %, Thermo Scientific Chemicals
CAS: 288-32-4 Fórmula molecular: C3H4N2 Peso molecular (g/mol): 68.08 Número MDL: MFCD00005183 Clave InChI: RAXXELZNTBOGNW-UHFFFAOYSA-N Sinónimo: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 Nombre IUPAC: 1H-imidazol SMILES: N1C=CN=C1
Sinónimo | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
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Clave InChI | RAXXELZNTBOGNW-UHFFFAOYSA-N |
PubChem CID | 795 |
Fórmula molecular | C3H4N2 |
CAS | 288-32-4 |
ChEBI | CHEBI:16069 |
Peso molecular (g/mol) | 68.08 |
Número MDL | MFCD00005183 |
SMILES | N1C=CN=C1 |
Nombre IUPAC | 1H-imidazol |
Thermo Scientific Alfa Aesar Complejo de piridina de fluoruro de hidrógeno, ca. 70 % de HF, Thermo Scientific Chemicals
CAS: 62778-11-4 Fórmula molecular: C5H6FN Peso molecular (g/mol): 99.108 Número MDL: MFCD00012436 Clave InChI: GRJJQCWNZGRKAU-UHFFFAOYSA-N Sinónimo: pyridine hydrofluoride,hydrogen fluoride-pyridine,olah's reagent,pyridinium fluoride,hydrogen fluoride pyridine complex,hydrogen fluoride pyridine,hf-pyridine,pyridine, hydrofluoride 1:1,pyridinium poly hydrogen fluoride,hydrogen fluoride/pyridine PubChem CID: 64774 Nombre IUPAC: piridina; hidrofluoruro SMILES: C1=CC=NC=C1.F
Sinónimo | pyridine hydrofluoride,hydrogen fluoride-pyridine,olah's reagent,pyridinium fluoride,hydrogen fluoride pyridine complex,hydrogen fluoride pyridine,hf-pyridine,pyridine, hydrofluoride 1:1,pyridinium poly hydrogen fluoride,hydrogen fluoride/pyridine |
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Clave InChI | GRJJQCWNZGRKAU-UHFFFAOYSA-N |
PubChem CID | 64774 |
Fórmula molecular | C5H6FN |
CAS | 62778-11-4 |
Peso molecular (g/mol) | 99.108 |
Número MDL | MFCD00012436 |
SMILES | C1=CC=NC=C1.F |
Nombre IUPAC | piridina; hidrofluoruro |
Thermo Scientific Acros Ácido nicotínico, 99,5 %, Thermo Scientific Chemicals
CAS: 59-67-6 Fórmula molecular: C6H5NO2 Peso molecular (g/mol): 123.11 Número MDL: MFCD00006391 Clave InChI: PVNIIMVLHYAWGP-UHFFFAOYSA-N Sinónimo: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 Nombre IUPAC: ácido piridina-3-carboxílico SMILES: OC(=O)C1=CC=CN=C1
Sinónimo | nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil |
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Clave InChI | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
PubChem CID | 938 |
Fórmula molecular | C6H5NO2 |
CAS | 59-67-6 |
ChEBI | CHEBI:15940 |
Peso molecular (g/mol) | 123.11 |
Número MDL | MFCD00006391 |
SMILES | OC(=O)C1=CC=CN=C1 |
Nombre IUPAC | ácido piridina-3-carboxílico |
Thermo Scientific Acros Anhídrido ftálico, 99 %, Thermo Scientific Chemicals
CAS: 85-44-9 Fórmula molecular: C8H4O3 Peso molecular (g/mol): 148.12 Número MDL: MFCD00005918 Clave InChI: LGRFSURHDFAFJT-UHFFFAOYSA-N Sinónimo: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 SMILES: O=C1OC(=O)C2=CC=CC=C12
Sinónimo | phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen |
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Clave InChI | LGRFSURHDFAFJT-UHFFFAOYSA-N |
PubChem CID | 6811 |
Fórmula molecular | C8H4O3 |
CAS | 85-44-9 |
ChEBI | CHEBI:36605 |
Peso molecular (g/mol) | 148.12 |
Número MDL | MFCD00005918 |
SMILES | O=C1OC(=O)C2=CC=CC=C12 |
Thermo Scientific Chemicals Uracilo, + 99 %
CAS: 66-22-8 Fórmula molecular: C4H4N2O2 Peso molecular (g/mol): 112.09 Número MDL: MFCD00006016 Clave InChI: ISAKRJDGNUQOIC-UHFFFAOYSA-N Sinónimo: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 Nombre IUPAC: 1H-pirimidina-2,4-diona SMILES: O=C1NC=CC(=O)N1
Sinónimo | uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x |
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Clave InChI | ISAKRJDGNUQOIC-UHFFFAOYSA-N |
PubChem CID | 1174 |
Fórmula molecular | C4H4N2O2 |
CAS | 66-22-8 |
ChEBI | CHEBI:17568 |
Peso molecular (g/mol) | 112.09 |
Número MDL | MFCD00006016 |
SMILES | O=C1NC=CC(=O)N1 |
Nombre IUPAC | 1H-pirimidina-2,4-diona |
Thermo Scientific Alfa Aesar D-(+)-Biotina, 98+ %, Thermo Scientific Chemicals
CAS: 58-85-5 Fórmula molecular: C10H16N2O3S Peso molecular (g/mol): 244.31 Número MDL: MFCD00005541 Clave InChI: YBJHBAHKTGYVGT-UHFFFAOYNA-N Sinónimo: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 Nombre IUPAC: ácido 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahidrotieno[3,4-d]imidazol-4-il]pentanoico SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
Sinónimo | biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin |
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Clave InChI | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
PubChem CID | 171548 |
Fórmula molecular | C10H16N2O3S |
CAS | 58-85-5 |
ChEBI | CHEBI:15956 |
Peso molecular (g/mol) | 244.31 |
Número MDL | MFCD00005541 |
SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
Nombre IUPAC | ácido 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahidrotieno[3,4-d]imidazol-4-il]pentanoico |