CAS 481-06-1 MFCD00135865-Santonin 驱蛔素 TAO{mole}

Santonin 驱蛔素

CAS 481-06-1 MFCD00135865

化学结构图

SMILES: CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O

化学属性

Mol. Formula	C15H18O3
Mol. Weight	246
Melting Point	172-173 °C (lit.)
Appearance	无色斜方楔形透明结晶或白色粉末。熔点170-173℃，相对密度1.187。溶于醇、醚、氯仿、碱类和多数挥发油和脂肪油，微溶于水。沸点升华。受光线照射渐变黄色。初无味，继则转苦，有毒。山道年是一种含有两个双键的酮内酯，溶于碱中后，打开内酯环而生成盐，经酸化转回至原物。
Refractive index	-172.5 ° (C=2, CHCl3)

别名和识别编码

Chemical Name	Santonin
Synonym	(-)-Alpha-santonin (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione (3S,5AS,9BS)-3A,5,5A,9B-TETRAHYDRO-3,5A,9-TRIMETHYLNAPHTHOL[1,2-B]FURAN-2,8(3H,4H)DIONE 1,2,3,4,4a,7-Hexahydro-1-hydroxy-alpha, 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid gamma-lactone 1,2,3,4,4a,7-Hexahydro-1-hydroxy-α, 4a, 8-trimethyl-7-oxo-2-naphthaleneacetic acid γ-lac 11-Epiisoeusantona-1,4-dienic acid, 6α-hydroxy-3-oxo-, γ-lactone 3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnap-hthol[1,2-b]-furan-2,8(3H,4H)-dione 6-alpha-hydroxy-3-oxo-,gamma-lactone,(11s)-(-eudesma-4-dien-12-oicacid ALPHA-SANT Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, ga SANTONIN, A- Santonin Semenen [3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b
MDL Number	MFCD00135865
Beilstein Registry Number	89489
CAS Number	481-06-1
EC Number	207-560-7
Reaxys-RN	89489
Merck Number	8361
PubChem Substance ID	221071
Chemical Name Translation	驱蛔素
Wiswesser Line Notation	T B566 COV LV IHTT&J E1 I1 M1
InChI	InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1

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安全信息

GHS Symbol

Precautionary statements

P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P301+P312
P301+P312+P330
P302+P350
P302+P352
P304+P340
P305+P351+P338
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P337+P313
P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H302 Harmful if swallowed 吞食有害
H310 Fatal in contact with skin 皮肤接触致命
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H330 Fatal if inhaled 吸入致命
H335 May cause respiratory irritation 可能导致呼吸道刺激

WGK Germany3

Signal word Danger {} {} {TCI}

RTECSLE3150000

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S37 Wear suitable gloves 戴适当手套；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
S36 Wear suitable protective clothing 穿戴适当的防护服；

Hazard Codes T+,Xi Xn

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有剧毒
R22 Harmful if swallowed 吞咽有害

Packing GroupII

Hazard Class6.1(a)

Storage condition 2-8°C

UN Number 2811

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,301,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02213

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 130 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40-    1944- Volume(issue)/page/year:
   52,79S,1956

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 15 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85DCAI "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M.,
   Springfield, IL, C.C. Thomas, 1970  Volume(issue)/page/year: 2,73,1970

其他信息

方法一:由道年存在于某紫蒿属植物中，可由菊科艾属植物蛔蒿的花蕾提取。取蛔蒿花蕾，加石灰乳（pH11-12）热水浸煮，得到的浸出液用盐酸中和后减压深缩，冷却，再用盐酸调pH至1-2，搅拌加热后得环合液。将环合液充分冷却析出山道年结晶。所得粗品用乙醇重结晶得山道年成品。
图谱信息:驱蛔素 (481-06-1)红外图谱(IR2) 驱蛔素 (481-06-1)核磁图( 1 HNMR) 驱蛔素 (481-06-1)红外图谱(IR1) 驱蛔素 (481-06-1)核磁图( 13 CNMR)
TCI Shanghai:蛔蒿素 Santonin,>;98.0%(LC)(T)(481-06-1)
MOL 文件:481-06-1.mol
用途一:驱虫药。用于蛔虫感染使用已久，疗效显著。
Sigma Aldrich:481-06-1(sigmaaldrich)