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Bencimidazoles

Compuestos heterocíclicos orgánicos aromáticos que están formados por benceno fusionado con un imidazol; los imidazoles son un diazol con átomos de nitrógeno no adyacentes.
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1

Thermo Scientific Chemicals Omeprazol, + 98 %

CAS: 73590-58-6 Fórmula molecular: C17H19N3O3S Peso molecular (g/mol): 345.42 Clave InChI: SUBDBMMJDZJVOS-UHFFFAOYSA-N Sinónimo: omeprazole,losec,prilosec,antra,esomeprazole,omeprazon,audazol,omapren,omepral,parizac PubChem CID: 4594 ChEBI: CHEBI:77260 Nombre IUPAC: 6-metoxi-2-[(4-metoxi-3,5-dimetilpiridin-2-il)metilsulfinil]-1H-bencimidazol SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

Sinónimo omeprazole,losec,prilosec,antra,esomeprazole,omeprazon,audazol,omapren,omepral,parizac
Clave InChI SUBDBMMJDZJVOS-UHFFFAOYSA-N
PubChem CID 4594
Fórmula molecular C17H19N3O3S
CAS 73590-58-6
ChEBI CHEBI:77260
Peso molecular (g/mol) 345.42
SMILES CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
Nombre IUPAC 6-metoxi-2-[(4-metoxi-3,5-dimetilpiridin-2-il)metilsulfinil]-1H-bencimidazol
2

(S)-(-)-Pantoprazol Sal Sódica, TRC

CAS: 160488-53-9 Fórmula molecular: C16 H14 F2 N3 O4 S . Na Peso molecular (g/mol): 405.35 Sinónimo: 1H-Benzimidazole, 6-(difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 5-(difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),(S)-(-)-Pantoprazole sodium salt Nombre IUPAC: sodio; 5-(difluorometoxi)-2-[(S)-(3,4-dimetoxipiridina-2-il)metilsulfinil]benzimidazol-1-ide SMILES: [Na+].COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC

Sinónimo 1H-Benzimidazole, 6-(difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 5-(difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),(S)-(-)-Pantoprazole sodium salt
Fórmula molecular C16 H14 F2 N3 O4 S . Na
CAS 160488-53-9
Peso molecular (g/mol) 405.35
SMILES [Na+].COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
Nombre IUPAC sodio; 5-(difluorometoxi)-2-[(S)-(3,4-dimetoxipiridina-2-il)metilsulfinil]benzimidazol-1-ide
3

Pantoprazol, hidrato de sal sódica, Thermo Scientific Chemicals

CAS: 718635-09-7 Fórmula molecular: C16H14F2N3NaO4S Peso molecular (g/mol): 405.35 Número MDL: MFCD08704580 Clave InChI: YNWDKZIIWCEDEE-UHFFFAOYNA-N Sinónimo: pantoprazole sodium,pantoprazole sodium hydrate,pantozol hydrate,protonix hydrate,c16h14f2n3nao4s.h2o,sodium pantoprazole 1-hydrate,pantoprazole sodium hydrate hplc,5-difluoromethoxy-2-3,4-dimethoxypyridin-2-yl methanesulfinyl-1-sodio-1,3-benzodiazole hydrate,5-difluoromethoxy-2-3,4-dimethoxy-2-pyridinyl methyl sulfinyl-1h-benzimidazole sodium salt hydrate PubChem CID: 23684923 Nombre IUPAC: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazol-1-ide SMILES: [Na+].COC1=C(OC)C(CS(=O)C2=NC3=CC(OC(F)F)=CC=C3[N-]2)=NC=C1

Sinónimo pantoprazole sodium,pantoprazole sodium hydrate,pantozol hydrate,protonix hydrate,c16h14f2n3nao4s.h2o,sodium pantoprazole 1-hydrate,pantoprazole sodium hydrate hplc,5-difluoromethoxy-2-3,4-dimethoxypyridin-2-yl methanesulfinyl-1-sodio-1,3-benzodiazole hydrate,5-difluoromethoxy-2-3,4-dimethoxy-2-pyridinyl methyl sulfinyl-1h-benzimidazole sodium salt hydrate
Clave InChI YNWDKZIIWCEDEE-UHFFFAOYNA-N
PubChem CID 23684923
Fórmula molecular C16H14F2N3NaO4S
CAS 718635-09-7
Peso molecular (g/mol) 405.35
Número MDL MFCD08704580
SMILES [Na+].COC1=C(OC)C(CS(=O)C2=NC3=CC(OC(F)F)=CC=C3[N-]2)=NC=C1
Nombre IUPAC sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazol-1-ide
5

Albendazol, + 98 %, Thermo Scientific Chemicals

CAS: 54965-21-8 Fórmula molecular: C12H15N3O2S Peso molecular (g/mol): 265.33 Número MDL: MFCD00083232 Clave InChI: HXHWSAZORRCQMX-UHFFFAOYSA-N Sinónimo: albendazole,albenza,eskazole,valbazen,zentel,albendazol,proftril,albendazolum,bilutac,zental PubChem CID: 2082 ChEBI: CHEBI:16664 Nombre IUPAC: methyl N-[6-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate SMILES: CCCSC1=CC=C2N=C(NC(=O)OC)NC2=C1

Sinónimo albendazole,albenza,eskazole,valbazen,zentel,albendazol,proftril,albendazolum,bilutac,zental
Clave InChI HXHWSAZORRCQMX-UHFFFAOYSA-N
PubChem CID 2082
Fórmula molecular C12H15N3O2S
CAS 54965-21-8
ChEBI CHEBI:16664
Peso molecular (g/mol) 265.33
Número MDL MFCD00083232
SMILES CCCSC1=CC=C2N=C(NC(=O)OC)NC2=C1
Nombre IUPAC methyl N-[6-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate
6

N-[3-Metil-4-(2,2,2-trifluoroetoxi)-2-piridinil]metil Lansoprazol, TRC

CAS: 1083100-26-8 Fórmula molecular: C25H22F6N4O3S Peso molecular (g/mol): 572.52 Sinónimo: 1-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole,Lansoprazole Impurity Nombre IUPAC: 1-[[3-3-metil-4-(2,2,2-trifluoroetoxi)piridina-2-il]metil]2-[[3-metil-4-(2,2,2-trifluoroetoxi)piridina-2-il]metilsulfinil]benzimidazol SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C

Sinónimo 1-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole,Lansoprazole Impurity
Fórmula molecular C25H22F6N4O3S
CAS 1083100-26-8
Peso molecular (g/mol) 572.52
SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C
Nombre IUPAC 1-[[3-3-metil-4-(2,2,2-trifluoroetoxi)piridina-2-il]metil]2-[[3-metil-4-(2,2,2-trifluoroetoxi)piridina-2-il]metilsulfinil]benzimidazol
7

4-Desmetaxi-4-cloro Omeprazol, TRC

CAS: 863029-89-4 Fórmula molecular: C16 H16 Cl N3 O2 S Peso molecular (g/mol): 349.84 Sinónimo: 2-[(RS)-[(4-Chloro-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole,Omeprazole Imp. H (EP) Nombre IUPAC: 2-[(4-cloro-3,5-dimetilpiridina-2-il)metilsulfinilo]-5-metaxi-1H-benzimidazol SMILES: COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(Cl)c3C

Sinónimo 2-[(RS)-[(4-Chloro-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole,Omeprazole Imp. H (EP)
Fórmula molecular C16 H16 Cl N3 O2 S
CAS 863029-89-4
Peso molecular (g/mol) 349.84
SMILES COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(Cl)c3C
Nombre IUPAC 2-[(4-cloro-3,5-dimetilpiridina-2-il)metilsulfinilo]-5-metaxi-1H-benzimidazol
8

6-(Difluorometoxi)-2-[[(3,4-dimetoxi-2-piridinil)metil]sulfinil]1-metil-1H-benzimidazol, TRC

CAS: 721924-06-7 Fórmula molecular: C17H17F2N3O4S Peso molecular (g/mol): 397.4 Sinónimo: Pantoprazole EP Impurity SMILES: COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC

Sinónimo Pantoprazole EP Impurity
Fórmula molecular C17H17F2N3O4S
CAS 721924-06-7
Peso molecular (g/mol) 397.4
SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC
9

Lansoprazol, TRC

CAS: 103577-45-3 Fórmula molecular: C16 H14 F3 N3 O2 S Peso molecular (g/mol): 369.36 Sinónimo: Lansoprazole,(±)-Lansoprazole,2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole,A 65006,AG 1749,Agopton,Ilsatec,Ketian,Lancid,Lanfast,Lanproton,Lansopep,Lansophed,Lanston,Lanz,Lanzol 30,Lanzopral,Lanzor,Lapraz,Ogast,Ogastro,PP/K-10,Prevacid,Promp,Prosogan,Suprecid,Takepron,Ulpax,Zoton Nombre IUPAC: 2-[[3-3-metil-4-(2,2,2-trifluoroetoxi)piridina-2-il]metilsulfinil]-1H-benzimidazol SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2

Sinónimo Lansoprazole,(±)-Lansoprazole,2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole,A 65006,AG 1749,Agopton,Ilsatec,Ketian,Lancid,Lanfast,Lanproton,Lansopep,Lansophed,Lanston,Lanz,Lanzol 30,Lanzopral,Lanzor,Lapraz,Ogast,Ogastro,PP/K-10,Prevacid,Promp,Prosogan,Suprecid,Takepron,Ulpax,Zoton
Fórmula molecular C16 H14 F3 N3 O2 S
CAS 103577-45-3
Peso molecular (g/mol) 369.36
SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2
Nombre IUPAC 2-[[3-3-metil-4-(2,2,2-trifluoroetoxi)piridina-2-il]metilsulfinil]-1H-benzimidazol
11

5-Hidroxi Omeprazol (~5% Trietilamina como estabilizador), TRC

CAS: 92340-57-3 Fórmula molecular: C17H19N3O4S Peso molecular (g/mol): 361.42 Sinónimo: 3-Pyridinemethanol, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-,[4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridyl]methanol,5'-Hydroxyomeprazole Nombre IUPAC: [4-metaxi-6-[(5-metoxi-1H-benzimidazol-2-il)sulfinilmetil]-5-metilpiridina-3-il]metanol SMILES: COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(CO)c(OC)c3C

Sinónimo 3-Pyridinemethanol, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-,[4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridyl]methanol,5'-Hydroxyomeprazole
Fórmula molecular C17H19N3O4S
CAS 92340-57-3
Peso molecular (g/mol) 361.42
SMILES COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(CO)c(OC)c3C
Nombre IUPAC [4-metaxi-6-[(5-metoxi-1H-benzimidazol-2-il)sulfinilmetil]-5-metilpiridina-3-il]metanol
12

Óxido de Pantoprazol N, TRC

CAS: 953787-60-5 Fórmula molecular: C16 H15 F2 N3 O5 S Peso molecular (g/mol): 399.37 Sinónimo: Pantoprazole N-Oxide,6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole Nombre IUPAC: 5-(difluorometaxi)-2-[(3,4-dimetoxi-1-oxidopiridina-1-ium-2-il)metilsulfinil]-1H-benzimidazol SMILES: COc1cc[n+]([O-])c(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC

Sinónimo Pantoprazole N-Oxide,6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
Fórmula molecular C16 H15 F2 N3 O5 S
CAS 953787-60-5
Peso molecular (g/mol) 399.37
SMILES COc1cc[n+]([O-])c(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC
Nombre IUPAC 5-(difluorometaxi)-2-[(3,4-dimetoxi-1-oxidopiridina-1-ium-2-il)metilsulfinil]-1H-benzimidazol
13

Rabeprazol Sal Sódica, TRC

CAS: 117976-90-6 Fórmula molecular: C18 H20 N3 O3 S . Na Peso molecular (g/mol): 381.42 Sinónimo: 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (9CI),2-[[[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole sodium salt,Aciphex,E 3810,LY 307640 sodium,Pariet,Pariprazole,Pepcia,Rabeprazole sodium,Rabicip,Razo Nombre IUPAC: sodio; 2-[[4-(3-metoxipropoxi)-3-metilpiridina-2-il]metilsulfinil]benzimidazol-1-ide SMILES: [Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C

Sinónimo 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (9CI),2-[[[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole sodium salt,Aciphex,E 3810,LY 307640 sodium,Pariet,Pariprazole,Pepcia,Rabeprazole sodium,Rabicip,Razo
Fórmula molecular C18 H20 N3 O3 S . Na
CAS 117976-90-6
Peso molecular (g/mol) 381.42
SMILES [Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C
Nombre IUPAC sodio; 2-[[4-(3-metoxipropoxi)-3-metilpiridina-2-il]metilsulfinil]benzimidazol-1-ide
14

N-metil pantoprazol (mezcla de 1 y 3 isómeros), TRC

CAS: 624742-53-6 Fórmula molecular: C17 H17 F2 N3 O4 S Peso molecular (g/mol): 397.4 Sinónimo: 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-Benzimidazole,Pantoprazole Sodium Sesquihydrate Imp. D (EP) Nombre IUPAC: 5-(difluorometoxi)-2-[(3,4-dimetaxipiridina-2-il)metilsulfinil]-1-metilbenzimidazol SMILES: COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC

Sinónimo 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-Benzimidazole,Pantoprazole Sodium Sesquihydrate Imp. D (EP)
Fórmula molecular C17 H17 F2 N3 O4 S
CAS 624742-53-6
Peso molecular (g/mol) 397.4
SMILES COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC
Nombre IUPAC 5-(difluorometoxi)-2-[(3,4-dimetaxipiridina-2-il)metilsulfinil]-1-metilbenzimidazol
15

(R)-Omeprazol Sal Sódica, TRC

CAS: 161796-77-6 Fórmula molecular: C17 H18 N3 O3 S . Na Peso molecular (g/mol): 367.4 Sinónimo: 6-Methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt (1:1),1H-Benzimidazole, 5-methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt, (R)-,(R)-Omeprazole sodium Nombre IUPAC: sodio; 5-metaxi-2-[(R)-(4-metoxi-3,5-dimetilpiridina-2-il)metilsulfinil]benzimidazol-1-ide SMILES: [Na+].COc1ccc2[n-]c(nc2c1)[S@](=O)Cc3ncc(C)c(OC)c3C

Sinónimo 6-Methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt (1:1),1H-Benzimidazole, 5-methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt, (R)-,(R)-Omeprazole sodium
Fórmula molecular C17 H18 N3 O3 S . Na
CAS 161796-77-6
Peso molecular (g/mol) 367.4
SMILES [Na+].COc1ccc2[n-]c(nc2c1)[S@](=O)Cc3ncc(C)c(OC)c3C
Nombre IUPAC sodio; 5-metaxi-2-[(R)-(4-metoxi-3,5-dimetilpiridina-2-il)metilsulfinil]benzimidazol-1-ide