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Benzimidazoles

Aromatic organic heterocyclic compounds that consist of benzene fused with an imidazole; imidazoles are a diazole with non-adjacent nitrogen atoms.
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1

Thermo Scientific Chemicals Omeprazole, 98+%

CAS: 73590-58-6 Formula molecolare: C17H19N3O3S Molecular Weight (g/mol): 345.42 InChI Key: SUBDBMMJDZJVOS-UHFFFAOYSA-N Sinonimo: omeprazole,losec,prilosec,antra,esomeprazole,omeprazon,audazol,omapren,omepral,parizac PubChem CID: 4594 ChEBI: CHEBI:77260 IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

Sinonimo omeprazole,losec,prilosec,antra,esomeprazole,omeprazon,audazol,omapren,omepral,parizac
PubChem CID 4594
Formula molecolare C17H19N3O3S
CAS 73590-58-6
Molecular Weight (g/mol) 345.42
ChEBI CHEBI:77260
SMILES CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
IUPAC Name 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
InChI Key SUBDBMMJDZJVOS-UHFFFAOYSA-N
2

(S)-(-)-Pantoprazole Sodium Salt, TRC

CAS: 160488-53-9 Formula molecolare: C16 H14 F2 N3 O4 S . Na Molecular Weight (g/mol): 405.35 Sinonimo: 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 IUPAC Name: sodium;5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide SMILES: [Na+].COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC

Sinonimo 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
Formula molecolare C16 H14 F2 N3 O4 S . Na
CAS 160488-53-9
Molecular Weight (g/mol) 405.35
SMILES [Na+].COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
IUPAC Name sodium;5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
3

Pantoprazole sodium salt hydrate

CAS: 718635-09-7 Formula molecolare: C16H14F2N3NaO4S Molecular Weight (g/mol): 405.35 Numero MDL: MFCD08704580 InChI Key: YNWDKZIIWCEDEE-UHFFFAOYNA-N Sinonimo: 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 IUPAC Name: sodium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;hydrate SMILES: [Na+].COC1=C(OC)C(CS(=O)C2=NC3=CC(OC(F)F)=CC=C3[N-]2)=NC=C1

Sinonimo 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
Numero MDL MFCD08704580
PubChem CID 23684923
Formula molecolare C16H14F2N3NaO4S
CAS 718635-09-7
Molecular Weight (g/mol) 405.35
SMILES [Na+].COC1=C(OC)C(CS(=O)C2=NC3=CC(OC(F)F)=CC=C3[N-]2)=NC=C1
IUPAC Name sodium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;hydrate
InChI Key YNWDKZIIWCEDEE-UHFFFAOYNA-N
5

Albendazole, 98+%

CAS: 54965-21-8 Formula molecolare: C12H15N3O2S Molecular Weight (g/mol): 265.33 Numero MDL: MFCD00083232 InChI Key: HXHWSAZORRCQMX-UHFFFAOYSA-N Sinonimo: albendazole,albenza,eskazole,valbazen,zentel,albendazol,proftril,albendazolum,bilutac,zental PubChem CID: 2082 ChEBI: CHEBI:16664 IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate SMILES: CCCSC1=CC=C2N=C(NC(=O)OC)NC2=C1

Sinonimo albendazole,albenza,eskazole,valbazen,zentel,albendazol,proftril,albendazolum,bilutac,zental
Numero MDL MFCD00083232
PubChem CID 2082
Formula molecolare C12H15N3O2S
CAS 54965-21-8
Molecular Weight (g/mol) 265.33
ChEBI CHEBI:16664
SMILES CCCSC1=CC=C2N=C(NC(=O)OC)NC2=C1
IUPAC Name methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
InChI Key HXHWSAZORRCQMX-UHFFFAOYSA-N
6

N-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl Lansoprazole, TRC

CAS: 1083100-26-8 Formula molecolare: C25H22F6N4O3S Molecular Weight (g/mol): 572.52 Sinonimo: 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 IUPAC Name: 1-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C

Sinonimo 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
Formula molecolare C25H22F6N4O3S
CAS 1083100-26-8
Molecular Weight (g/mol) 572.52
SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C
IUPAC Name 1-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole
7

4-Desmethoxy-4-chloro Omeprazole, TRC

CAS: 863029-89-4 Formula molecolare: C16 H16 Cl N3 O2 S Molecular Weight (g/mol): 349.84 Sinonimo: 2-[(RS)-[(4-Chloro-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole,Omeprazole Imp. H (EP) IUPAC Name: 2-[(4-chloro-3,5-dimethylpyridin-2-yl)methylsulfinyl]-5-methoxy-1H-benzimidazole SMILES: COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(Cl)c3C

Sinonimo 2-[(RS)-[(4-Chloro-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole,Omeprazole Imp. H (EP)
Formula molecolare C16 H16 Cl N3 O2 S
CAS 863029-89-4
Molecular Weight (g/mol) 349.84
SMILES COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(Cl)c3C
IUPAC Name 2-[(4-chloro-3,5-dimethylpyridin-2-yl)methylsulfinyl]-5-methoxy-1H-benzimidazole
8

6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole, TRC

CAS: 721924-06-7 Formula molecolare: C17H17F2N3O4S Molecular Weight (g/mol): 397.4 Sinonimo: Pantoprazole EP Impurity SMILES: COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC

Sinonimo Pantoprazole EP Impurity
Formula molecolare C17H17F2N3O4S
CAS 721924-06-7
Molecular Weight (g/mol) 397.4
SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC
9

Lansoprazole, TRC

CAS: 103577-45-3 Formula molecolare: C16 H14 F3 N3 O2 S Molecular Weight (g/mol): 369.36 Sinonimo: 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 IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2

Sinonimo 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
Formula molecolare C16 H14 F3 N3 O2 S
CAS 103577-45-3
Molecular Weight (g/mol) 369.36
SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2
IUPAC Name 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
11

5-Hydroxy Omeprazole (~5% Triethylamine as stabilizer), TRC

CAS: 92340-57-3 Formula molecolare: C17H19N3O4S Molecular Weight (g/mol): 361.42 Sinonimo: 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 IUPAC Name: [4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridin-3-yl]methanol SMILES: COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(CO)c(OC)c3C

Sinonimo 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
Formula molecolare C17H19N3O4S
CAS 92340-57-3
Molecular Weight (g/mol) 361.42
SMILES COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(CO)c(OC)c3C
IUPAC Name [4-methoxy-6-[(5-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridin-3-yl]methanol
12

Pantoprazole N-Oxide, TRC

CAS: 953787-60-5 Formula molecolare: C16 H15 F2 N3 O5 S Molecular Weight (g/mol): 399.37 Sinonimo: Pantoprazole N-Oxide,6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole IUPAC Name: 5-(difluoromethoxy)-2-[(3,4-dimethoxy-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole SMILES: COc1cc[n+]([O-])c(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC

Sinonimo Pantoprazole N-Oxide,6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
Formula molecolare C16 H15 F2 N3 O5 S
CAS 953787-60-5
Molecular Weight (g/mol) 399.37
SMILES COc1cc[n+]([O-])c(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC
IUPAC Name 5-(difluoromethoxy)-2-[(3,4-dimethoxy-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole
13

Rabeprazole Sodium Salt, TRC

CAS: 117976-90-6 Formula molecolare: C18 H20 N3 O3 S . Na Molecular Weight (g/mol): 381.42 Sinonimo: 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 IUPAC Name: sodium;2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide SMILES: [Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C

Sinonimo 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
Formula molecolare C18 H20 N3 O3 S . Na
CAS 117976-90-6
Molecular Weight (g/mol) 381.42
SMILES [Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C
IUPAC Name sodium;2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
14

N-Methyl Pantoprazole (Mixture of 1 and 3 isomers), TRC

CAS: 624742-53-6 Formula molecolare: C17 H17 F2 N3 O4 S Molecular Weight (g/mol): 397.4 Sinonimo: 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-Benzimidazole,Pantoprazole Sodium Sesquihydrate Imp. D (EP) IUPAC Name: 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole SMILES: COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC

Sinonimo 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-Benzimidazole,Pantoprazole Sodium Sesquihydrate Imp. D (EP)
Formula molecolare C17 H17 F2 N3 O4 S
CAS 624742-53-6
Molecular Weight (g/mol) 397.4
SMILES COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC
IUPAC Name 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole
15

(R)-Omeprazole Sodium Salt, TRC

CAS: 161796-77-6 Formula molecolare: C17 H18 N3 O3 S . Na Molecular Weight (g/mol): 367.4 Sinonimo: 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 IUPAC Name: sodium;5-methoxy-2-[(R)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide SMILES: [Na+].COc1ccc2[n-]c(nc2c1)[S@](=O)Cc3ncc(C)c(OC)c3C

Sinonimo 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
Formula molecolare C17 H18 N3 O3 S . Na
CAS 161796-77-6
Molecular Weight (g/mol) 367.4
SMILES [Na+].COc1ccc2[n-]c(nc2c1)[S@](=O)Cc3ncc(C)c(OC)c3C
IUPAC Name sodium;5-methoxy-2-[(R)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide