CAS 6223-35-4|sodium gualenate
Introduction：Basic information about CAS 6223-35-4|sodium gualenate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | sodium gualenate | ||
|---|---|---|---|
| CAS Number | 6223-35-4 | Molecular Weight | 300.348 |
| Density | / | Boiling Point | / |
| Molecular Formula | C15H17NaO3S | Melting Point | 98°C(lit.) |
| MSDS | / | Flash Point | / |
Names
| Name | sodium,3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate |
|---|---|
| Synonym | More Synonyms |
sodium gualenate BiologicalActivity
| 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 >>OthersResearch 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
| Melting Point | 98°C(lit.) |
|---|---|
| Molecular Formula | C15H17NaO3S |
| Molecular Weight | 300.348 |
| Exact Mass | 300.079620 |
| PSA | 65.58000 |
| LogP | 4.51650 |
| InChIKey | GEYJUFBPCGDENK-UHFFFAOYSA-M |
| SMILES | Cc1cc(S(=O)(=O)[O-])c2c(C)ccc(C(C)C)cc1-2.[Na+] |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6380 mg/kg
- 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 :
- 180 mg/kg
- 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 :
- 520 mg/kg
- 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1540 mg/kg
- 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 :
- 105 mg/kg
- 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 :
- 145 mg/kg
- 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 |
Customs
| HS Code | 2904100000 |
|---|---|
| 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% |
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 |
