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Benzimidazole

Aromatische organische heterozyklische Verbindungen, die aus Benzol bestehen, das mit einem Imidazol fusioniert ist; Imidazole sind ein Diazol mit nichtangrenzenden Stickstoffatomen.
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1

Thermo Scientific Chemicals Omeprazol, ≥ 98 %

CAS: 73590-58-6 Summenformel: C17H19N3O3S Molekulargewicht (g/mol): 345.42 InChI-Schlüssel: SUBDBMMJDZJVOS-UHFFFAOYSA-N Synonym: 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-Benzimidazol SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

InChI-Schlüssel SUBDBMMJDZJVOS-UHFFFAOYSA-N
IUPAC-Name 6-Methoxy-2-[(4-Methoxy-3,5-Dimethylpyridin-2-yl)Methylsulfinyl]-1H-Benzimidazol
PubChem CID 4594
CAS 73590-58-6
ChEBI CHEBI:77260
Molekulargewicht (g/mol) 345.42
SMILES CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
Synonym omeprazole,losec,prilosec,antra,esomeprazole,omeprazon,audazol,omapren,omepral,parizac
Summenformel C17H19N3O3S
2

(S)-(-)-Pantoprazol-Natriumsalz, TRC

CAS: 160488-53-9 Summenformel: C16 H14 F2 N3 O4 S . Na Molekulargewicht (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: Natrium; 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

IUPAC-Name Natrium; 5-(Difluoromethoxy)-2-[(S)-(3,4-Dimethoxypyridin-2-yl)Methylsulfinyl]benzimidazol-1-ide
CAS 160488-53-9
Molekulargewicht (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
Summenformel C16 H14 F2 N3 O4 S . Na
3

Pantoprazol Natriumsalz Hydrat, Thermo Scientific Chemicals

CAS: 718635-09-7 Summenformel: C16H14F2N3NaO4S Molekulargewicht (g/mol): 405.35 MDL-Nummer: MFCD08704580 InChI-Schlüssel: 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: Natrium;5-(Difluormethoxy)-2-[(3,4-Dimethoxypyridin-2-yl)Methylsulfinyl]Benzimidazol-1-id;Hydrat SMILES: [Na+].COC1=C(OC)C(CS(=O)C2=NC3=CC(OC(F)F)=CC=C3[N-]2)=NC=C1

InChI-Schlüssel YNWDKZIIWCEDEE-UHFFFAOYNA-N
IUPAC-Name Natrium;5-(Difluormethoxy)-2-[(3,4-Dimethoxypyridin-2-yl)Methylsulfinyl]Benzimidazol-1-id;Hydrat
PubChem CID 23684923
CAS 718635-09-7
MDL-Nummer MFCD08704580
Molekulargewicht (g/mol) 405.35
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
Summenformel C16H14F2N3NaO4S
5

Albendazol, ≥ 98 %, Thermo Scientific Chemicals

CAS: 54965-21-8 Summenformel: C12H15N3O2S Molekulargewicht (g/mol): 265.33 MDL-Nummer: MFCD00083232 InChI-Schlüssel: HXHWSAZORRCQMX-UHFFFAOYSA-N Synonym: 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)Carbamat SMILES: CCCSC1=CC=C2N=C(NC(=O)OC)NC2=C1

InChI-Schlüssel HXHWSAZORRCQMX-UHFFFAOYSA-N
IUPAC-Name Methyl N-(6-Propylsulfanyl-1H-Benzimidazol-2-yl)Carbamat
PubChem CID 2082
CAS 54965-21-8
ChEBI CHEBI:16664
MDL-Nummer MFCD00083232
Molekulargewicht (g/mol) 265.33
SMILES CCCSC1=CC=C2N=C(NC(=O)OC)NC2=C1
Synonym albendazole,albenza,eskazole,valbazen,zentel,albendazol,proftril,albendazolum,bilutac,zental
Summenformel C12H15N3O2S
6

N-[3-Methyl-4-(2,2,2-Trifluorethoxy)-2-pyridinyl]methyl Lansoprazol, TRC

CAS: 1083100-26-8 Summenformel: C25H22F6N4O3S Molekulargewicht (g/mol): 572.52 Synonym: 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-trifluorethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluorethoxy)pyridin-2-yl]methylsulfinyl]benzimidazol SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C

IUPAC-Name 1-[[3-methyl-4-(2,2,2-trifluorethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluorethoxy)pyridin-2-yl]methylsulfinyl]benzimidazol
CAS 1083100-26-8
Molekulargewicht (g/mol) 572.52
SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3n2Cc4nccc(OCC(F)(F)F)c4C
Synonym 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
Summenformel C25H22F6N4O3S
7

4-Desmethoxy-4-Chloro-Omeprazol, TRC

CAS: 863029-89-4 Summenformel: C16 H16 Cl N3 O2 S Molekulargewicht (g/mol): 349.84 Synonym: 2-[(RS)-[(4-Chloro-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole,Omeprazole Imp. H (EP) IUPAC-Name: 2-[(4-Chlor-3,5-Dimethylpyridin-2-yl)Methylsulfinyl]-5-Methoxy-1H-Bensimidazol SMILES: COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(Cl)c3C

IUPAC-Name 2-[(4-Chlor-3,5-Dimethylpyridin-2-yl)Methylsulfinyl]-5-Methoxy-1H-Bensimidazol
CAS 863029-89-4
Molekulargewicht (g/mol) 349.84
SMILES COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(Cl)c3C
Synonym 2-[(RS)-[(4-Chloro-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole,Omeprazole Imp. H (EP)
Summenformel C16 H16 Cl N3 O2 S
8

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

CAS: 721924-06-7 Summenformel: C17H17F2N3O4S Molekulargewicht (g/mol): 397.4 Synonym: Pantoprazole EP Impurity SMILES: COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC

CAS 721924-06-7
Molekulargewicht (g/mol) 397.4
SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2C)c1OC
Synonym Pantoprazole EP Impurity
Summenformel C17H17F2N3O4S
9

Lansoprazol, TRC

CAS: 103577-45-3 Summenformel: C16 H14 F3 N3 O2 S Molekulargewicht (g/mol): 369.36 Synonym: 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-Trifluorethoxy)Pyridin-2-yl]Methylsulfinyl]-1H-Benzimidazol SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2

IUPAC-Name 2-[[3-Methyl-4-(2,2,2-Trifluorethoxy)Pyridin-2-yl]Methylsulfinyl]-1H-Benzimidazol
CAS 103577-45-3
Molekulargewicht (g/mol) 369.36
SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2
Synonym 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
Summenformel C16 H14 F3 N3 O2 S
11

5-Hydroxy-Omeprazol (~5 % Triethylamin als Stabilisator), TRC

CAS: 92340-57-3 Summenformel: C17H19N3O4S Molekulargewicht (g/mol): 361.42 Synonym: 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

IUPAC-Name [4-Methoxy-6-[(5-Methoxy-1H-benzimidazol-2-yl)Sulfinylmethyl]-5-Methylpyridin-3-yl]methanol
CAS 92340-57-3
Molekulargewicht (g/mol) 361.42
SMILES COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(CO)c(OC)c3C
Synonym 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
Summenformel C17H19N3O4S
12

Pantoprazol-N-Oxid, TRC

CAS: 953787-60-5 Summenformel: C16 H15 F2 N3 O5 S Molekulargewicht (g/mol): 399.37 Synonym: 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-benzimidazol 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-benzimidazol
CAS 953787-60-5
Molekulargewicht (g/mol) 399.37
SMILES COc1cc[n+]([O-])c(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC
Synonym Pantoprazole N-Oxide,6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
Summenformel C16 H15 F2 N3 O5 S
13

Rabeprazol-Natriumsalz, TRC

CAS: 117976-90-6 Summenformel: C18 H20 N3 O3 S . Na Molekulargewicht (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: Natrium; 2-[[4-(3-Methoxypropoxy)-3-Methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide SMILES: [Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C

IUPAC-Name Natrium; 2-[[4-(3-Methoxypropoxy)-3-Methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
CAS 117976-90-6
Molekulargewicht (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
Summenformel C18 H20 N3 O3 S . Na
14

N-Methyl-Pantoprazol (Mischung aus 1- und 3-Isomeren), TRC

CAS: 624742-53-6 Summenformel: C17 H17 F2 N3 O4 S Molekulargewicht (g/mol): 397.4 Synonym: 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-Methylbenzimidazol SMILES: COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC

IUPAC-Name 5-(Difluoromethoxy)-2-[(3,4-Dimethoxypyridin-2-yl)Methylsulfinyl]-1-Methylbenzimidazol
CAS 624742-53-6
Molekulargewicht (g/mol) 397.4
SMILES COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3n2C)c1OC
Synonym 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-Benzimidazole,Pantoprazole Sodium Sesquihydrate Imp. D (EP)
Summenformel C17 H17 F2 N3 O4 S
15

(R)-Omeprazol-Natriumsalz, TRC

CAS: 161796-77-6 Summenformel: C17 H18 N3 O3 S . Na Molekulargewicht (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: Natrium; 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

IUPAC-Name Natrium; 5-Methoxy-2-[(R)-(4-Methoxy-3,5-Dimethylpyridin-2-yl)Methylsulfinyl]benzimidazol-1-ide
CAS 161796-77-6
Molekulargewicht (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
Summenformel C17 H18 N3 O3 S . Na