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| CAS No.: | 117976-90-6 |
|---|---|
| Name: | Rebeprazole sodium |
| Molecular Structure: | |
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| Formula: | C18H20N3NaO3S |
| Molecular Weight: | 381.431 |
| Synonyms: | 2-[[[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazolesodium salt;Aciphex;E 3810;LY 307640 sodium;Pariet;Pariprazole;Pepcia;Rabicip;1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt(1:1); |
| EINECS: | 211-134-6 |
| Density: | 0.45~0.55 g/mL |
| Melting Point: | 140-141 °C |
| Boiling Point: | 603.9 °C at 760 mmHg |
| Flash Point: | 319.1 °C |
| Appearance: | white or off white crystalline powder |
| PSA: | 93.41000 |
| LogP: | 3.48420 |

rabeprazole


Rabeprazole sodium

| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol Product distribution / selectivity; | 100% |
| With sodium hydroxide In water Product distribution / selectivity; | 100% |
| With sodium carbonate; 2-fluoro-3-chloro-5-(trifluoromethyl)pyridine In ethanol at 35 - 40℃; for 2h; pH=9; Reagent/catalyst; Solvent; | 98% |


Rabeprazole sodium

| Conditions | Yield |
|---|---|
| With sodium hydroxide In water Product distribution / selectivity; | 100% |


Rabeprazole sodium

| Conditions | Yield |
|---|---|
| With sodium hydroxide In water Product distribution / selectivity; | 99.3% |


Rabeprazole sodium

| Conditions | Yield |
|---|---|
| With sodium hydroxide In water Product distribution / selectivity; | 98% |

| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol at 0 - 50℃; for 4 - 5h; Product distribution / selectivity; | A 0.2% B 95% |



Rabeprazole sodium

| Conditions | Yield |
|---|---|
| Stage #1: 2-[4-(3-methoxypropoxy)-3-methyl-1-oxypyridin-2-yl-methylsulfinyl]-1H-benzimidazole sodium salt With 2,3-dimethyl-2,3-diaminobutane; sodium methylate; ruthenium trichloride In methanol at 50℃; for 10h; Stage #2: With acetic acid; sodium sulfite In methanol; water at 20℃; pH=6 - 7; Stage #3: With sodium hydroxide; water In ethyl acetate at 20℃; for 24h; | 91% |
| With morpholine; ruthenium trichloride In ethanol at 50℃; for 8h; Product distribution / selectivity; | 70% |
| With morpholine; ethanol; ruthenium trichloride at 50℃; for 8h; Product distribution / selectivity; | 70% |
| With triethyl phosphite; MoCl2O2(dmf)2 In ethanol at 50℃; for 2h; Product distribution / selectivity; | 40% |
| With triethyl phosphite; bis(N,N-dimethylformamide)dichloridodioxidomolybdenum(VI) In ethanol at 50℃; for 2h; Product distribution / selectivity; | 40% |


Rabeprazole sodium

| Conditions | Yield |
|---|---|
| Stage #1: 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole sodium salt acetone complex In methanol at 25℃; Stage #2: In n-heptane at 25℃; for 19h; Product distribution / selectivity; | 90% |
| Stage #1: 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole sodium salt acetone complex In methanol; isopropyl alcohol Stage #2: In n-heptane at 25℃; for 0.75h; Product distribution / selectivity; | 89% |
| In tert-butyl methyl ether at 25℃; for 1h; Product distribution / selectivity; | 89% |
| Stage #1: 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole sodium salt acetone complex In isopropyl alcohol at 40℃; Stage #2: In n-heptane at 25℃; for 20h; Product distribution / selectivity; | 79% |
| In n-heptane at 25℃; for 1h; Product distribution / selectivity; |

rabeprazole sulfide


Rabeprazole sodium

| Conditions | Yield |
|---|---|
| Stage #1: rabeprazole sulfide With sodium hydroxide; sodium hypochlorite In pyridine; water at 5 - 8℃; for 4h; Stage #2: With sodium hydroxide; ammonia In methanol; ethyl acetate | |
| With sodium hydroxide; sodium hypochlorite In pyridine; water at 5 - 10℃; for 4h; | |
| Stage #1: rabeprazole sulfide With sodium hypochlorite; sodium hydroxide In methanol; water at -5 - 30℃; Stage #2: With acetic acid In water at 10 - 15℃; pH=8.8 - 9.2; Stage #3: With sodium hydroxide In dichloromethane; water at 25 - 30℃; Concentration; | |
| Multi-step reaction with 2 steps 1: sodium hydroxide; sodium hypochlorite / water; acetonitrile / -8 - -2 °C 2: sodium hydroxide / ethanol / 20 - 25 °C View Scheme | |
| Stage #1: rabeprazole sulfide With sodium hypochlorite; sodium hydroxide In dichloromethane at -5 - 5℃; for 1h; Stage #2: With pyrographite; sodium hydroxide In methanol at 20 - 25℃; for 2h; Concentration; |


Rabeprazole sodium

| Conditions | Yield |
|---|---|
| at 20 - 115℃; under 4 - 650 Torr; for 6.25 - 137h; Product distribution / selectivity; |


Rabeprazole sodium

| Conditions | Yield |
|---|---|
| at 105℃; for 5h; Product distribution / selectivity; |
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IUPAC Name: Sodium 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
Following is the structure of Rebeprazole sodium (CAS NO.117976-90-6):

Empirical Formula: C18H20N3NaO3S
Molecular Weight: 381.4245 g/mol
Flash Point: 319.1 °C
Melting point: 140-141 °C dec.
Enthalpy of Vaporization: 89.82 kJ/mol
Boiling Point: 603.9 °C at 760 mmHg
Vapour Pressure: 1.54E-14 mmHg at 25 °C
Product Categories of Rebeprazole sodium (CAS NO.117976-90-6): Intermediates & Fine Chemicals; Pharmaceuticals; Rabeprazole
Appearance of Rebeprazole sodium (CAS NO.117976-90-6): White Crystalline Solid
Canonical SMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+]
InChI: InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1
InChIKey: KRCQSTCYZUOBHN-UHFFFAOYSA-N
Rebeprazole sodium (CAS NO.117976-90-6) can be used as a partially reversible gastric proton pump inhibitor.
Rebeprazole sodium , its cas register number is 117976-90-6. It also can be called Rebeprazole sodium ; amd Sodium 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]benzoimidazole .