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Teobromina, 99 %, Thermo Scientific Chemicals
CAS: 83-67-0 Fórmula molecular: C7H8N4O2 Peso molecular (g/mol): 180.167 Número MDL: MFCD00022830 Clave InChI: YAPQBXQYLJRXSA-UHFFFAOYSA-N Sinónimo: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 Nombre IUPAC: 3,7-dimetilpurina-2,6-diona SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
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| Sinónimo | theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin |
|---|---|
| Clave InChI | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| PubChem CID | 5429 |
| Fórmula molecular | C7H8N4O2 |
| CAS | 83-67-0 |
| ChEBI | CHEBI:28946 |
| Peso molecular (g/mol) | 180.167 |
| Número MDL | MFCD00022830 |
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2C |
| Nombre IUPAC | 3,7-dimetilpurina-2,6-diona |
Guanina, 99 %, Thermo Scientific Chemicals
CAS: 73-40-5 Fórmula molecular: C5H5N5O Peso molecular (g/mol): 151.13 Número MDL: MFCD00071533 Clave InChI: UYTPUPDQBNUYGX-UHFFFAOYSA-N Sinónimo: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 Nombre IUPAC: 2-amino-3,7-dihidropurin-6-ona SMILES: NC1=NC(=O)C2=C(N1)N=CN2
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| Sinónimo | guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence |
|---|---|
| Clave InChI | UYTPUPDQBNUYGX-UHFFFAOYSA-N |
| PubChem CID | 764 |
| Fórmula molecular | C5H5N5O |
| CAS | 73-40-5 |
| ChEBI | CHEBI:16235 |
| Peso molecular (g/mol) | 151.13 |
| Número MDL | MFCD00071533 |
| SMILES | NC1=NC(=O)C2=C(N1)N=CN2 |
| Nombre IUPAC | 2-amino-3,7-dihidropurin-6-ona |
Ácido nalidíxico, 99,5 %, Thermo Scientific Chemicals
CAS: 389-08-2 Fórmula molecular: C12H12N2O3 Peso molecular (g/mol): 232.24 Número MDL: MFCD00006884 Clave InChI: MHWLWQUZZRMNGJ-UHFFFAOYSA-N Sinónimo: nalidixic acid,nalidixin,nevigramon,nalidixate,uronidix,innoxalon,nalidixan,nalitucsan,sicmylon,unaserus PubChem CID: 4421 ChEBI: CHEBI:100147 Nombre IUPAC: Ácido 1-etil-7-metil-4-oxo-1,8-naftiridina-3-carboxílico SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O
| Sinónimo | nalidixic acid,nalidixin,nevigramon,nalidixate,uronidix,innoxalon,nalidixan,nalitucsan,sicmylon,unaserus |
|---|---|
| Clave InChI | MHWLWQUZZRMNGJ-UHFFFAOYSA-N |
| PubChem CID | 4421 |
| Fórmula molecular | C12H12N2O3 |
| CAS | 389-08-2 |
| ChEBI | CHEBI:100147 |
| Peso molecular (g/mol) | 232.24 |
| Número MDL | MFCD00006884 |
| SMILES | CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O |
| Nombre IUPAC | Ácido 1-etil-7-metil-4-oxo-1,8-naftiridina-3-carboxílico |
Dihidrato de ditartrato de nicotina, 98 %, Thermo Scientific Chemicals
CAS: 6-3-6019 Peso molecular (g/mol): 498.44 Número MDL: MFCD00150899 Clave InChI: LDMPZNTVIGIREC-HYRPJEHINA-N Sinónimo: (-)-Nicotine di-(+)-hydrogen tartrate dihydrate Nombre IUPAC: N-{3-[(2Z)-5-cloro-2,3-dihidro-1,3-benzoxazol-2-ilideno]-4-oxociclohexa-1,5-dien-1-il}-2-metilpropanamida SMILES: O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1
| Sinónimo | (-)-Nicotine di-(+)-hydrogen tartrate dihydrate |
|---|---|
| Clave InChI | LDMPZNTVIGIREC-HYRPJEHINA-N |
| CAS | 6-3-6019 |
| Peso molecular (g/mol) | 498.44 |
| Número MDL | MFCD00150899 |
| SMILES | O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1 |
| Nombre IUPAC | N-{3-[(2Z)-5-cloro-2,3-dihidro-1,3-benzoxazol-2-ilideno]-4-oxociclohexa-1,5-dien-1-il}-2-metilpropanamida |
Linezolid, 98 %, Thermo Scientific Chemicals
CAS: 165800-03-3 Fórmula molecular: C16H20FN3O4 Peso molecular (g/mol): 337.35 Clave InChI: TYZROVQLWOKYKF-ZDUSSCGKSA-N Sinónimo: linezolid,zyvox,zyvoxid,s-n-3-3-fluoro-4-morpholinophenyl-2-oxooxazolidin-5-yl methyl acetamide,zyvoxam,linezolide,linezlid,zyvoxa,linezolid usan:inn,unii-isq9i6j12j PubChem CID: 441401 ChEBI: CHEBI:63607 Nombre IUPAC: N-[[(5S)-3-(3-fluoro-4-morfolin-4-ilfenilo)-2-oxo-1,3-oxazolidin-5-il]metil]acetamida SMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
| Sinónimo | linezolid,zyvox,zyvoxid,s-n-3-3-fluoro-4-morpholinophenyl-2-oxooxazolidin-5-yl methyl acetamide,zyvoxam,linezolide,linezlid,zyvoxa,linezolid usan:inn,unii-isq9i6j12j |
|---|---|
| Clave InChI | TYZROVQLWOKYKF-ZDUSSCGKSA-N |
| PubChem CID | 441401 |
| Fórmula molecular | C16H20FN3O4 |
| CAS | 165800-03-3 |
| ChEBI | CHEBI:63607 |
| Peso molecular (g/mol) | 337.35 |
| SMILES | CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F |
| Nombre IUPAC | N-[[(5S)-3-(3-fluoro-4-morfolin-4-ilfenilo)-2-oxo-1,3-oxazolidin-5-il]metil]acetamida |
(-)-Estricnina, 98 %, Thermo Scientific Chemicals
CAS: 57-24-9 Fórmula molecular: C21H22N2O2 Peso molecular (g/mol): 334.42 Número MDL: MFCD00005941 Clave InChI: QMGVPVSNSZLJIA-FVWCLLPLSA-N Sinónimo: strychnine,strychnidin-10-one,--strychnine,strychnin,3h strychnine,unii-h9y79vd43j,sanaseed,estricnina,strychinos,strychnos PubChem CID: 441071 ChEBI: CHEBI:28973 Nombre IUPAC: (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahidro-2H-4,6-metanoindolo[3,2,1-ij]oxepino[2,3,4-de]pirolo[2,3-h]quinolin-14-ona SMILES: O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1C1=CC=CC=C61
| Sinónimo | strychnine,strychnidin-10-one,--strychnine,strychnin,3h strychnine,unii-h9y79vd43j,sanaseed,estricnina,strychinos,strychnos |
|---|---|
| Clave InChI | QMGVPVSNSZLJIA-FVWCLLPLSA-N |
| PubChem CID | 441071 |
| Fórmula molecular | C21H22N2O2 |
| CAS | 57-24-9 |
| ChEBI | CHEBI:28973 |
| Peso molecular (g/mol) | 334.42 |
| Número MDL | MFCD00005941 |
| SMILES | O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1C1=CC=CC=C61 |
| Nombre IUPAC | (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahidro-2H-4,6-metanoindolo[3,2,1-ij]oxepino[2,3,4-de]pirolo[2,3-h]quinolin-14-ona |
Topiramato, 98 %, Thermo Scientific Chemicals
CAS: 97240-79-4 Fórmula molecular: C12H21NO8S Peso molecular (g/mol): 339.36 Clave InChI: KJADKKWYZYXHBB-XBWDGYHZSA-N Sinónimo: topiramate,topamax,epitomax,topamax sprinkle,tipiramate,topiramatum,tipiramato,topiramato,tipiramate french,tipiramato spanish PubChem CID: 5284627 ChEBI: CHEBI:63631 Nombre IUPAC: [(3as,5AR,8aR,8bS)-2,2,7,7-tetrametil-5,5a,8a,8b-tetrahidrolidi[1,3]dioxolo[4,5-a SMILES: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C
| Sinónimo | topiramate,topamax,epitomax,topamax sprinkle,tipiramate,topiramatum,tipiramato,topiramato,tipiramate french,tipiramato spanish |
|---|---|
| Clave InChI | KJADKKWYZYXHBB-XBWDGYHZSA-N |
| PubChem CID | 5284627 |
| Fórmula molecular | C12H21NO8S |
| CAS | 97240-79-4 |
| ChEBI | CHEBI:63631 |
| Peso molecular (g/mol) | 339.36 |
| SMILES | CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C |
| Nombre IUPAC | [(3as,5AR,8aR,8bS)-2,2,7,7-tetrametil-5,5a,8a,8b-tetrahidrolidi[1,3]dioxolo[4,5-a |
6-Tioguanina, 98 %, Thermo Scientific Chemicals
CAS: 154-42-7 Fórmula molecular: C5H5N5S Peso molecular (g/mol): 167.19 Número MDL: MFCD00233553 Clave InChI: WYWHKKSPHMUBEB-UHFFFAOYSA-N Sinónimo: 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 SMILES: NC1=NC(=S)C2=C(N1)N=CN2
| Sinónimo | 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol |
|---|---|
| Clave InChI | WYWHKKSPHMUBEB-UHFFFAOYSA-N |
| PubChem CID | 2723601 |
| Fórmula molecular | C5H5N5S |
| CAS | 154-42-7 |
| ChEBI | CHEBI:9555 |
| Peso molecular (g/mol) | 167.19 |
| Número MDL | MFCD00233553 |
| SMILES | NC1=NC(=S)C2=C(N1)N=CN2 |
Bromuro de etidio, 98 % (peso seco), Thermo Scientific Chemicals
CAS: 1239-45-8 Fórmula molecular: C21H20BrN3 Peso molecular (g/mol): 394.32 Número MDL: MFCD00011724 Clave InChI: ZMMJGEGLRURXTF-UHFFFAOYSA-N Sinónimo: ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l PubChem CID: 14710 ChEBI: CHEBI:4883 SMILES: [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12
| Sinónimo | ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l |
|---|---|
| Clave InChI | ZMMJGEGLRURXTF-UHFFFAOYSA-N |
| PubChem CID | 14710 |
| Fórmula molecular | C21H20BrN3 |
| CAS | 1239-45-8 |
| ChEBI | CHEBI:4883 |
| Peso molecular (g/mol) | 394.32 |
| Número MDL | MFCD00011724 |
| SMILES | [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12 |
Teofilina, 99+ %, anhidro, Thermo Scientific Chemicals
CAS: 58-55-9 Fórmula molecular: C7H8N4O2 Peso molecular (g/mol): 180.17 Número MDL: MFCD00079619 Clave InChI: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Sinónimo: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 Nombre IUPAC: 1,3-dimetil-7H-purina-2,6-diona SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
| Sinónimo | theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur |
|---|---|
| Clave InChI | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| PubChem CID | 2153 |
| Fórmula molecular | C7H8N4O2 |
| CAS | 58-55-9 |
| ChEBI | CHEBI:28177 |
| Peso molecular (g/mol) | 180.17 |
| Número MDL | MFCD00079619 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| Nombre IUPAC | 1,3-dimetil-7H-purina-2,6-diona |
Mirtazapine, 98 %, Thermo Scientific Chemicals
CAS: 85650-52-8 Fórmula molecular: C17H19N3 Peso molecular (g/mol): 265.35 Clave InChI: RONZAEMNMFQXRA-UHFFFAOYSA-N Sinónimo: mirtazapine,remeron,mepirzepine,remergil,zispin,remergon,rexer,6-azamianserin,remeron soltab,mepirzapin PubChem CID: 4205 ChEBI: CHEBI:6950 SMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
| Sinónimo | mirtazapine,remeron,mepirzepine,remergil,zispin,remergon,rexer,6-azamianserin,remeron soltab,mepirzapin |
|---|---|
| Clave InChI | RONZAEMNMFQXRA-UHFFFAOYSA-N |
| PubChem CID | 4205 |
| Fórmula molecular | C17H19N3 |
| CAS | 85650-52-8 |
| ChEBI | CHEBI:6950 |
| Peso molecular (g/mol) | 265.35 |
| SMILES | CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 |
Rivaroxabán, 98 %, Thermo Scientific Chemicals
CAS: 366789-02-8 Fórmula molecular: C19H18ClN3O5S Peso molecular (g/mol): 435.88 Número MDL: MFCD11974010 Clave InChI: KGFYHTZWPPHNLQ-UHFFFAOYNA-N Sinónimo: rivaroxaban,xarelto,s-5-chloro-n-2-oxo-3-4-3-oxomorpholino phenyl oxazolidin-5-yl methyl thiophene-2-carboxamide,unii-9ndf7jz4m3,xarelto tn,9ndf7jz4m3,5-chloro-n-5s-2-oxo-3-4-3-oxomorpholin-4-yl phenyl-1,3-oxazolidin-5-yl methyl thiophene-2-carboxamide,2-thiophenecarboxamide, 5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl,5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl-2-thiophenecarboxamide PubChem CID: 9875401 ChEBI: CHEBI:68579 Nombre IUPAC: 5-cloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorfolin-4-il)fenil]-1,3-oxazolidin-5-il]metil]tiofeno-2-carboxamida SMILES: ClC1=CC=C(S1)C(=O)NCC1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O
| Sinónimo | rivaroxaban,xarelto,s-5-chloro-n-2-oxo-3-4-3-oxomorpholino phenyl oxazolidin-5-yl methyl thiophene-2-carboxamide,unii-9ndf7jz4m3,xarelto tn,9ndf7jz4m3,5-chloro-n-5s-2-oxo-3-4-3-oxomorpholin-4-yl phenyl-1,3-oxazolidin-5-yl methyl thiophene-2-carboxamide,2-thiophenecarboxamide, 5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl,5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl-2-thiophenecarboxamide |
|---|---|
| Clave InChI | KGFYHTZWPPHNLQ-UHFFFAOYNA-N |
| PubChem CID | 9875401 |
| Fórmula molecular | C19H18ClN3O5S |
| CAS | 366789-02-8 |
| ChEBI | CHEBI:68579 |
| Peso molecular (g/mol) | 435.88 |
| Número MDL | MFCD11974010 |
| SMILES | ClC1=CC=C(S1)C(=O)NCC1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O |
| Nombre IUPAC | 5-cloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorfolin-4-il)fenil]-1,3-oxazolidin-5-il]metil]tiofeno-2-carboxamida |
2-Mercaptobenzotiazol, 97 %, Thermo Scientific Chemicals
CAS: 149-30-4 Fórmula molecular: C7H5NS2 Peso molecular (g/mol): 167.244 Número MDL: MFCD00005781 Clave InChI: YXIWHUQXZSMYRE-UHFFFAOYSA-N Sinónimo: 2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax PubChem CID: 697993 ChEBI: CHEBI:34292 Nombre IUPAC: 3H-1,3-benzotiazol-2-tiona SMILES: C1=CC=C2C(=C1)NC(=S)S2
| Sinónimo | 2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax |
|---|---|
| Clave InChI | YXIWHUQXZSMYRE-UHFFFAOYSA-N |
| PubChem CID | 697993 |
| Fórmula molecular | C7H5NS2 |
| CAS | 149-30-4 |
| ChEBI | CHEBI:34292 |
| Peso molecular (g/mol) | 167.244 |
| Número MDL | MFCD00005781 |
| SMILES | C1=CC=C2C(=C1)NC(=S)S2 |
| Nombre IUPAC | 3H-1,3-benzotiazol-2-tiona |
Simvastatina, 98 %, Thermo Scientific Chemicals
CAS: 79902-63-9 Fórmula molecular: C25H38O5 Peso molecular (g/mol): 418.57 Clave InChI: RYMZZMVNJRMUDD-HGQWONQESA-N Sinónimo: simvastatin,zocor,synvinolin,sinvacor,denan,lipex,simvastatine,sivastin,lodales,simvastatina PubChem CID: 54454 ChEBI: CHEBI:9150 Nombre IUPAC: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hidroxi-6-oxooxan-2-il]etil]-3,7-dimetil-1,2,3,7,8,8a-hexahidronaftalen-1-il] 2,2-dimetilbutanato SMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
| Sinónimo | simvastatin,zocor,synvinolin,sinvacor,denan,lipex,simvastatine,sivastin,lodales,simvastatina |
|---|---|
| Clave InChI | RYMZZMVNJRMUDD-HGQWONQESA-N |
| PubChem CID | 54454 |
| Fórmula molecular | C25H38O5 |
| CAS | 79902-63-9 |
| ChEBI | CHEBI:9150 |
| Peso molecular (g/mol) | 418.57 |
| SMILES | CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C |
| Nombre IUPAC | [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hidroxi-6-oxooxan-2-il]etil]-3,7-dimetil-1,2,3,7,8,8a-hexahidronaftalen-1-il] 2,2-dimetilbutanato |