Compuestos organoheterocíclicos

Compuestos organoheterocíclicos


























































































































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 |
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 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 |
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 |
Monohidrato de clorhidrato de neocuproína, 99 %, Thermo Scientific Chemicals
CAS: 303136-82-5 Fórmula molecular: C14H12N2 Peso molecular (g/mol): 208.26 Número MDL: MFCD00150062 Clave InChI: IYRGXJIJGHOCFS-UHFFFAOYSA-N Sinónimo: 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 % PubChem CID: 2723838 Nombre IUPAC: 2,9-dimetil-1,10-fenantrolina;hidrato;clorhidrato SMILES: CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1
Sinónimo | 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 % |
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Clave InChI | IYRGXJIJGHOCFS-UHFFFAOYSA-N |
PubChem CID | 2723838 |
Fórmula molecular | C14H12N2 |
CAS | 303136-82-5 |
Peso molecular (g/mol) | 208.26 |
Número MDL | MFCD00150062 |
SMILES | CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1 |
Nombre IUPAC | 2,9-dimetil-1,10-fenantrolina;hidrato;clorhidrato |
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 |
N-Vinil-2-pirrolidona, 99 %, estabilizada con NaOH, Thermo Scientific Chemicals
CAS: 88-12-0 Fórmula molecular: C6H9NO Peso molecular (g/mol): 111.14 Número MDL: MFCD00003197 Clave InChI: WHNWPMSKXPGLAX-UHFFFAOYSA-N Sinónimo: 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 Nombre IUPAC: 1-etenilpirrolidina-2-ona SMILES: C=CN1CCCC1=O
Sinónimo | 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 |
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Clave InChI | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
PubChem CID | 6917 |
Fórmula molecular | C6H9NO |
CAS | 88-12-0 |
ChEBI | CHEBI:82551 |
Peso molecular (g/mol) | 111.14 |
Número MDL | MFCD00003197 |
SMILES | C=CN1CCCC1=O |
Nombre IUPAC | 1-etenilpirrolidina-2-ona |
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+) |
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 |
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 |
Mitomicina C, Fisher BioReagents™
CAS: 50-07-7 Fórmula molecular: C15H18N4O5 Peso molecular (g/mol): 334.332 Clave InChI: NWIBSHFKIJFRCO-WUDYKRTCSA-N Sinónimo: mitomycin c,mitomycin,ametycine,mutamycin,ametycin,mitocin-c,mitomycinum,mytomycin,mytozytrex,mitomycin-c PubChem CID: 5746 ChEBI: CHEBI:27504 SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N
Sinónimo | mitomycin c,mitomycin,ametycine,mutamycin,ametycin,mitocin-c,mitomycinum,mytomycin,mytozytrex,mitomycin-c |
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Clave InChI | NWIBSHFKIJFRCO-WUDYKRTCSA-N |
PubChem CID | 5746 |
Fórmula molecular | C15H18N4O5 |
CAS | 50-07-7 |
ChEBI | CHEBI:27504 |
Peso molecular (g/mol) | 334.332 |
SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N |
1,8-Diazabiciclo[5.4.0]undec-7-eno, 98+ %, Thermo Scientific Chemicals
CAS: 6674-22-2 Número MDL: MFCD00006930 Clave InChI: GQHTUMJGOHRCHB-UHFFFAOYSA-N Sinónimo: 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 Nombre IUPAC: 2,3,4,6,7,8,9,10-octahidropirimido[1,2-a]azepina SMILES: C1CCC2=NCCCN2CC1
Sinónimo | 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene |
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Clave InChI | GQHTUMJGOHRCHB-UHFFFAOYSA-N |
PubChem CID | 81184 |
CAS | 6674-22-2 |
Número MDL | MFCD00006930 |
SMILES | C1CCC2=NCCCN2CC1 |
Nombre IUPAC | 2,3,4,6,7,8,9,10-octahidropirimido[1,2-a]azepina |
Thermo Scientific Chemicals Bromuro de tetrazolio azul de tiazolilo, 98 %
CAS: 298-93-1 Fórmula molecular: C18H16BrN5S Peso molecular (g/mol): 414.33 Número MDL: MFCD00011964,MFCD00066662 Clave InChI: AZKSAVLVSZKNRD-UHFFFAOYSA-M Sinónimo: 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 Nombre IUPAC: 2-(3,5-difeniltetrazol-2-io-2-il)-4,5-dimetil-1,3-tiazol; bromuro SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Sinónimo | 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 |
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Clave InChI | AZKSAVLVSZKNRD-UHFFFAOYSA-M |
PubChem CID | 64965 |
Fórmula molecular | C18H16BrN5S |
CAS | 298-93-1 |
ChEBI | CHEBI:53233 |
Peso molecular (g/mol) | 414.33 |
Número MDL | MFCD00011964,MFCD00066662 |
SMILES | [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1 |
Nombre IUPAC | 2-(3,5-difeniltetrazol-2-io-2-il)-4,5-dimetil-1,3-tiazol; bromuro |