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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

Pantoprazole sodium salt hydrate

CAS: 718635-09-7 Molecular Formula: C16H14F2N3NaO4S Molecular Weight (g/mol): 405.35 MDL Number: MFCD08704580 InChI Key: YNWDKZIIWCEDEE-UHFFFAOYNA-N Synonym: 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

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

Pantoprazole Sodium Salt, TRC

CAS: 138786-67-1 Molecular Formula: C16 H14 F2 N3 O4 S . Na Molecular Weight (g/mol): 405.35 Synonym: Pantoprazole sodium,1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),5-Difluoromethoxy-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole sodium salt,Controloc,Nolpaza,Pantecta,Pantoloc,Pantoprazole sodium salt,Protonix,Somac,Zurcal IUPAC Name: sodium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide SMILES: [Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC

CAS 138786-67-1
Molecular Weight (g/mol) 405.35
SMILES [Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
Synonym Pantoprazole sodium,1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),5-Difluoromethoxy-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole sodium salt,Controloc,Nolpaza,Pantecta,Pantoloc,Pantoprazole sodium salt,Protonix,Somac,Zurcal
IUPAC Name sodium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
Molecular Formula C16 H14 F2 N3 O4 S . Na
3

Rabeprazole Sodium Salt, TRC

CAS: 117976-90-6 Molecular Formula: C18 H20 N3 O3 S . Na Molecular Weight (g/mol): 381.42 Synonym: 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

CAS 117976-90-6
Molecular Weight (g/mol) 381.42
SMILES [Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C
Synonym 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
Molecular Formula C18 H20 N3 O3 S . Na
4

Omeprazole Sodium Salt, TRC

CAS: 95510-70-6 Molecular Formula: C17H18N3O3S.Na.H2O Molecular Weight (g/mol): 385.41 Synonym: Omeprazole sodium,Sodium 5-methoxy-2-[(RS)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole monohydrate IUPAC Name: sodium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;hydrate SMILES: O.[Na+].COc1ccc2[n-]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C

CAS 95510-70-6
Molecular Weight (g/mol) 385.41
SMILES O.[Na+].COc1ccc2[n-]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C
Synonym Omeprazole sodium,Sodium 5-methoxy-2-[(RS)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole monohydrate
IUPAC Name sodium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;hydrate
Molecular Formula C17H18N3O3S.Na.H2O
5

(R)-(+)-Pantoprazole Sodium Salt, TRC

CAS: 160098-11-3 Molecular Formula: C16 H14 F2 N3 O4 S . Na Molecular Weight (g/mol): 405.35 Synonym: 1H-Benzimidazole, 6-(difluoromethoxy)-2-[(R)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 5-(difluoromethoxy)-2-[(R)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),(R)-(+)-Pantoprazole sodium salt IUPAC Name: sodium;5-(difluoromethoxy)-2-[(R)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide SMILES: [Na+].COc1ccnc(C[S@@](=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC

CAS 160098-11-3
Molecular Weight (g/mol) 405.35
SMILES [Na+].COc1ccnc(C[S@@](=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
Synonym 1H-Benzimidazole, 6-(difluoromethoxy)-2-[(R)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1),1H-Benzimidazole, 5-(difluoromethoxy)-2-[(R)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (9CI),(R)-(+)-Pantoprazole sodium salt
IUPAC Name sodium;5-(difluoromethoxy)-2-[(R)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
Molecular Formula C16 H14 F2 N3 O4 S . Na
6

(R)-Omeprazole Sodium Salt, TRC

CAS: 161796-77-6 Molecular Formula: C17 H18 N3 O3 S . Na Molecular Weight (g/mol): 367.4 Synonym: 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

CAS 161796-77-6
Molecular Weight (g/mol) 367.4
SMILES [Na+].COc1ccc2[n-]c(nc2c1)[S@](=O)Cc3ncc(C)c(OC)c3C
Synonym 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
Molecular Formula C17 H18 N3 O3 S . Na
7

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

CAS: 160488-53-9 Molecular Formula: C16 H14 F2 N3 O4 S . Na Molecular Weight (g/mol): 405.35 Synonym: 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

CAS 160488-53-9
Molecular Weight (g/mol) 405.35
SMILES [Na+].COc1ccnc(C[S@](=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
Synonym 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
Molecular Formula C16 H14 F2 N3 O4 S . Na
8

5-Hydroxy Lansoprazole Potassium Salt, TRC

CAS: 1329613-29-7 Molecular Formula: C16 H13 F3 N3 O3 S . K Molecular Weight (g/mol): 423.45 Synonym: 1H-Benzimidazol-6-ol, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-, potassium salt (1:1),5-Hydroxylansoprazole Potassium Salt IUPAC Name: potassium;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazol-5-olate SMILES: [K+].Cc1c(CS(=O)c2nc3cc([O-])ccc3[nH]2)nccc1OCC(F)(F)F

CAS 1329613-29-7
Molecular Weight (g/mol) 423.45
SMILES [K+].Cc1c(CS(=O)c2nc3cc([O-])ccc3[nH]2)nccc1OCC(F)(F)F
Synonym 1H-Benzimidazol-6-ol, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-, potassium salt (1:1),5-Hydroxylansoprazole Potassium Salt
IUPAC Name potassium;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazol-5-olate
Molecular Formula C16 H13 F3 N3 O3 S . K
9

5-Hydroxy Omeprazole Sodium Salt, TRC

CAS: 1215629-45-0 Molecular Formula: C17H18N3NaO4S Molecular Weight (g/mol): 383.4 SMILES: [Na+].COc1ccc2[n-]c(nc2c1)S(=O)Cc3ncc(CO)c(OC)c3C

CAS 1215629-45-0
Molecular Weight (g/mol) 383.4
SMILES [Na+].COc1ccc2[n-]c(nc2c1)S(=O)Cc3ncc(CO)c(OC)c3C
Molecular Formula C17H18N3NaO4S