CAS Number6223-35-4
Synonymssodium 5-isopropyl-3,8-dimethylazulene-1-sulfonate; Gualenate de sodium; sodium gualenate; Azulene sulfonate sodium; 5-isopropyl-3,8-dimethyl-azulene-1-sulfonic acid,sodium-salt; 5-Isopropyl-3,8-dimethyl-azulen-1-sulfonsaeure,Natrium-Salz; Natrii gualenas; Sodium guiazulene sulfonate; Gualenato sodidico; Azulen SN; Azupromin
Molecular FormulaC15H17NaO3S
Molecular Weight300.348
Purity98.00%
Melting Point98°C(lit.)
AppearanceSolid;Blue to Dark blue powder to crystaline
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 6223-35-4 |
| Catalog No. | 2A-9032600 |
| Chinese Name | 薁磺酸钠 |
| Synonyms | sodium 5-isopropyl-3,8-dimethylazulene-1-sulfonate; Gualenate de sodium; sodium gualenate; Azulene sulfonate sodium; 5-isopropyl-3,8-dimethyl-azulene-1-sulfonic acid,sodium-salt; 5-Isopropyl-3,8-dimethyl-azulen-1-sulfonsaeure,Natrium-Salz; Natrii gualenas; Sodium guiazulene sulfonate; Gualenato sodidico; Azulen SN; Azupromin |
| Molecular Formula | C15H17NaO3S |
| Molecular Weight | 300.348 |
| Purity | 98.00 |
| Melting Point | 98°C(lit.) |
| Appearance | Solid;Blue to Dark blue powder to crystaline |
| Storage Condition | <0°C; store under inert gas; avoid light, moisture |
| Application | Sodium gualenate (Guiazulenesulfonate sodium) is a hydrophilic derivative of cinnamon, which has excellent anti-inflammatory and healing effects. It is mainly used to treat duodenal ulcer, gastric ulc |
| HTC | 2904100000 |
| SMILES | Cc1cc(S(=O)(=O)[O-])c2c(C)ccc(C(C)C)cc1-2.[Na+] |
| InChI | InChI=1S/C15H18O3S.Na/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;/h5-9H,1-4H3,(H,16,17,18);/q;+1/p-1 |
| InChI Key | GEYJUFBPCGDENK-UHFFFAOYSA-M |
| Use of | Sodium gualenate (Guaiazulenesulfonate sodium) is a hydrophilic derivative of guaiazulene with excellent anti-inflammatory and wound-healing effects mainly used for the treatment of duodenal ulcer, gastric ulcer and gastritis. Properties Name sodium,3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate Synonym More Synonyms sodium gualenate Biological Activity Description Sodium gualenate (Guaiazulenesulfonate sodium) is a hydrophilic derivative of guaiazulene with excellent anti-inflammatory and wound-healing effects mainly used for the treatment of duodenal ulcer, gastric ulcer and gastritis. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Inflammation/Immunology In Vitro Sodium gualenate is an unstable compound, which is gradually decomposed in the solid state at room temperature. When heated, Sodium gualenate decomposes almost completely within 1 week. It was found that a kneaded mixture of Sodium gualenate and cornstarch (weight ratio; 1:250) for tableting with water is stable. So, during production, Sodium gualenate could be stabilized using water[1]. Sodium gualenate slightly inhibits the histamine release from rat peritoneal mast cells and strongly inhibits the leukocyte emigration induced by fMLP[2]. In Vivo Sodium gualenate has been frequently used for the treatment of human gastritis. Cytoprotection is defined as the main mechanism of Sodium gualenate to protect the mucosa of the stomach and the antipeptic actions in vivo have also been shown[2]. References [1]. Nakamichi K, et al. Stabilization of sodium guaiazulene sulfonate in granules for tableting prepared using a twin-screw extruder. Eur J Pharm Biopharm. 2003 Nov;56(3):347-54. [2]. Cao T, et al. Synthesis and Biological Evaluation of 3, 8-dimethyl-5-isopropylazulene Derivatives as Anti-gastric Ulcer Agent. Chem Biol Drug Des. 2016 Aug;88(2):264-71. Chemical & Physical Properties Molecular Formula C15H17NaO3S Exact Mass 300.079620 PSA 65.58000 LogP 4.51650 InChIKey GEYJUFBPCGDENK-UHFFFAOYSA-M Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1-Azulenesulfonic acid, 5-isopropyl-3,8-dimethyl-, sodium salt CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C15-H18-O3-S.Na MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,615,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - ataxia REFERENCE : SHNSAS Shinryo to Shinyaku. Medical Consultation and New Remedies. (Iji Shuppan Sha, 1-2-8 Shinkawa, Chuo-Ku, Tokyo 104, Japan) V.1- 1964- Volume(issue)/page/year: 11,2533,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : SHNSAS Shinryo to Shinyaku. Medical Consultation and New Remedies. (Iji Shuppan Sha, 1-2-8 Shinkawa, Chuo-Ku, Tokyo 104, Japan) V.1- 1964- Volume(issue)/page/year: 11,2533,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,615,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - ataxia REFERENCE : SHNSAS Shinryo to Shinyaku. Medical Consultation and New Remedies. (Iji Shuppan Sha, 1-2-8 Shinkawa, Chuo-Ku, Tokyo 104, Japan) V.1- 1964- Volume(issue)/page/year: 11,2533,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : SHNSAS Shinryo to Shinyaku. Medical Consultation and New Remedies. (Iji Shuppan Sha, 1-2-8 Shinkawa, Chuo-Ku, Tokyo 104, Japan) V.1- 1964- Volume(issue)/page/year: 11,2533,1974 Safety Information RTECS CO4826000 HS Code 2904100000 Synthetic Route Total: 1 Page guaiazulene CAS#:489-84-9 sodium gualenate CAS#:6223-35-4 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 19 p. 5722 - 5725 3,8-dimethyl-5-... CAS#:16915-32-5 sodium gualenate CAS#:6223-35-4 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 19 p. 5722 - 5725 Precursor & DownStream Precursor 2 CAS#:489-84-9 guaiazulene CAS#:16915-32-5 3,8-dimethyl-5-... DownStream 1 CAS#:6223-36-5 ethyl 3,8-dimet... |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Summary 2904100000 derivatives containing only sulpho groups, their salts and ethyl esters. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff:5.5%. General tariff:30.0% |
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