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161796-78-7

Basic Information
CAS No.: 161796-78-7
Name: 1H-Benzimidazole,6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodiumsalt (1:1)
Molecular Structure:
Molecular Structure of 161796-78-7 (1H-Benzimidazole,6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodiumsalt (1:1))
Formula: C17H20N3NaO3S
Molecular Weight: 369.41
Synonyms: (S)-(-)-omeprazole Sodium;1H-Benzimidazole,5-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodiumsalt (9CI);5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl-1H-benzimidazole sodium salt;S-Omeprazole sodium;
EINECS: 620-470-6
Melting Point: 156 °C (approx)
Boiling Point: 618.9 °C at 760 mmHg
Flash Point: 328.1 °C
PSA: 85.45000
LogP: 3.55120
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  • Esomeprazole sodium  China manufacture 99%min

  • Casno:

    161796-78-7

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    Esomeprazole sodium China manufacture 99%min

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    USP standard Appearance:White or off-white powder Storage:Room temperature preservation Package:Packaging according to customer requirements Application:used for medicine Transportation:by sea by air express Port:china port

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  • Esomeprazole sodium 161796-78-7

  • Casno:

    161796-78-7

    Esomeprazole sodium 161796-78-7

    Min.Order: 100 Milligram

    FOB Price:  USD $ 0.0-0.0

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  • Esomeprazole sodium

  • Casno:

    161796-78-7

    Esomeprazole sodium

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    Hangzhou KeyingChem Co., Ltd. exported this product to many countries and regions at best price. If you are looking for the material’s manufacturer or supplier in China, KeyingChem is your best choice. Pls contact with us freely for getting det

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Specification

The IUPAC name of Esomeprazole sodium is sodium 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide. With the CAS registry number 161796-78-7, it is also named as 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl-1H-benzimidazole sodium salt. The product's category is Active Pharmaceutical Ingredients, and the other registry number is 174610-96-9. In addition, its molecular formula is C17H20N3NaO3S and molecular weight is 369.41.

The other characteristics of Esomeprazole sodium can be summarized as: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15; (8)ACD/KOC (pH 7.4): 26; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 82.9 Å2; (13)Flash Point: 328.1 °C; (14)Enthalpy of Vaporization: 91.75 kJ/mol; (15)Boiling Point: 618.9 °C at 760 mmHg; (16)Vapour Pressure: 3.04E-15 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].O=S(C2[N-]c1ccc(OC)cc1N2)Cc3ncc(c(OC)c3C)C
(2)InChI: InChI=1/C17H20N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8,17,20H,9H2,1-4H3;/q-1;+1/t17,24-;/m0./s1
(3)InChIKey: YOIWYODMTXDBRG-DPGOWHRRBR
(4)Std. InChI: InChI=1S/C17H20N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8,17,20H,9H2,1-4H3;/q-1;+1/t17,24-;/m0./s1
(5)Std. InChIKey: YOIWYODMTXDBRG-DPGOWHRRSA-N