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Omeprazolesodium structure, CAS 95510-70-6

Omeprazolesodium

CAS Number95510-70-6

SynonymsOmeprazole powder/pellets/sodium; MFCD01939422; Omeprazole sodium hydrate; Omeprazole,sodium salt; sodium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzoimidazole; 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1h-benzimidazole sodium salt

Molecular FormulaC17H20N3NaO4S

Molecular Weight385.413

Purity98%

Density1.37g/cm3

Boiling Point600ºC at 760mmHg

Melting Point220°C

Flash Point

Appearancetransparent in water

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Cat. No.: 2A-9083794 Purity: 98%
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Quality Control of [ 95510-70-6 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number95510-70-6
Catalog No.2A-9083794
Chinese Name奥美拉唑钠
SynonymsOmeprazole powder/pellets/sodium; MFCD01939422; Omeprazole sodium hydrate; Omeprazole,sodium salt; sodium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzoimidazole; 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1h-benzimidazole sodium salt
Molecular FormulaC17H20N3NaO4S
Molecular Weight385.413
Purity98
Density1.37g/cm3
Boiling Point600ºC at 760mmHg
Melting Point220°C
Appearancetransparent in water
Storage Conditionroom temperature
ApplicationOmeprazole (H 16868) is a proton pump inhibitor (PPI) with potential for use in gastrointestinal diseases. Omeprazole competitively inhibits CYP2C19 activity with a Ki of 2 to 6 μM. Omeprazole also in
HTC2933990090
SMILESCOc1ccc2[n-]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1.[Na+]
InChIInChI=1S/C17H18N3O3S.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;/h5-8H,9H2,1-4H3;/q-1;+1
InChI KeyRYXPMWYHEBGTRV-UHFFFAOYSA-N
Use ofProperties Name Omeprazole sodium Synonym More Synonyms Omeprazole sodium monohydrate Biological Activity Related Catalog Research Areas >> Cancer Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> Phospholipase Signaling Pathways >> Autophagy >> Autophagy Research Areas >> Metabolic Disease Signaling Pathways >> Membrane Transporter/Ion Channel >> Proton Pump Signaling Pathways >> Anti-infection >> Bacterial References [1]. Li XQ, et al. Comparison of inhibitory effects of the proton pump-inhibiting drugs omeprazole, esomeprazole, lansoprazole, pantoprazole, and rabeprazole on human cytochrome P450 activities. Drug Metab Dispos. 2004 Aug;32(8):821-7. [2]. Jonkers D, et al. Omeprazole inhibits growth of gram-positive and gram-negative bacteria including Helicobacter pylori in vitro. J Antimicrob Chemother. 1996 Jan;37(1):145-50. [3]. Huarui Zhang, et al. Advances in the discovery of exosome inhibitors in cancer. J Enzyme Inhib Med Chem. 2020 Dec;35(1):1322-1330. Chemical & Physical Properties Molecular Formula C17H20N3NaO4S Exact Mass 385.107208 PSA 94.68000 LogP 3.48690 InChIKey RYXPMWYHEBGTRV-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)met hyl)sulfinyl)-, sodium salt, hydrate CAS REGISTRY NUMBER : 95510-70-6 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C17-H18-N3-O3-S.Na.H2-O MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 49,479,1995 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 49,497,1995 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - other changes Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 49,479,1995 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Kidney, Ureter, Bladder - changes in bladder weight REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 49,497,1995 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SEX/DURATION : male 9 week(s) pre-mating female 2 week(s) pre-mating - 7 day(s) after conception TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 49,573,1995 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous 83200 ug/kg SEX/DURATION : female 17-21 day(s) after conception lactating female 21 day(s) post-birth TOXIC EFFECTS : Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 49,573,1995 Safety Information HS Code 2933990090
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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