CAS: 4720-09-6; Grayanotoxin I

• 英文名称Grayanotoxin I
• 中文名称杜鹃毒素
• IUPAC名称[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
• 其它别名ANDROMEDOTOXIN; GRAYANOTOXIN 1; 4,8-tetramethyl-,12-acetate(2s,3as,4r,4ar,7r,8r,9as,11r,11ar,12r)-1; 4,8-tetramethyl-,12-acetate,(2s,3as,4ar,7r,8r,9as,11r,11ar,12r)--1; 6,10,14,16-hexol,14-acetate,(3-beta,6-beta,14r)-grayanotoxane-5; 6,10,14,16-hexol,14-acetate,(3beta,6beta,14r)-grayanotoxane-5; 9a-methano-9ah-cyclopenta(b)heptalene-2,4,8,11,11a,12(1h)-hexol-dodecahydro; acetylandromedol
• CAS编号4720-09-6
• MFCD编号:MFCD29920140
• EINECS号:111-886-4
• FDA UNII编号:W4E6HC3T2B
• 分子式:C22H36O7分子量:412.52
• 产品CID: 2279246
• 产品分类生物化工 → 中草药成分

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: NXCYBYJXCJWMRY-VGBBEZPXSA-N
• 1S\/C22H36O7\/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26\/h12-17,24-28H,6-10H2,1-5H3\/t12-,13+,14+,15+,16-,17+,19-,20-,21+
• 计算化学: 氢键受体数7.0氢键供体数5.0可旋转键数2.0

物理性质

• 熔点258-260 °C
• 沸点549.3 °C at 760 mmHg
• 闪点184.3 °C
• 密度1.32 g/cm3
• PH:D25 -8.8° (c = 2.3 in ethanol)
• pKa:13.72±0.70(预测)
• PSA:127.45
• LogP:0.7391
• 折射率1.593
• 蒸汽压2.34E-14 mmHg at 25 °C
• 溶解性SOL IN HOT WATER, ALCOHOL, ACETIC ACID, HOT CHLOROFORM; VERY SLIGHTLY SOL IN BENZENE, ETHER, PETROLEUM ETHER
• 外观形态乙酸乙酯/戊烷中析出的晶体固体
• 储存条件-20°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别2(经皮)
  急性毒性 类别2(经口)
• 警示词Danger(危险)
• 危险描述H310 |皮肤接触致命.
  H300 |吞咽致命.
• 防范说明P262-P280-P301+P310+P330-P302+P352+P310
• 危险等级6.1(a)
• UN编号3172
• 包装等级I
• 安全声明Grayanotoxins bind to specific sodium ion channels in cell membranes. The grayanotoxins prevent inactivation, leaving excitable cells depolarized. (L1251)
• 危险类别码Emergency treatment: Plants- Grayanotoxins; Prognosis is excellent with supportive care and treatment of hypotension and dysrhythmias; Toxicity may occur after eating 10 azalea blossoms or 50-75 ml of honey made by bees eating nectar of rhododendrons or other plants of the Ericaceae family; [HSDB] Symptoms after ingestion include paresthesias, vomiting, hypotension, bradycardia, seizures, and coma; [Olson, p. 376]
• WGK Germany3.0

欧盟法规

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海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管