Pentifylline 1-己基-3,7-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮

CAS 1028-33-7 MFCD00041424

化学结构图

1028-33-7
SMILES: CCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O

化学属性

Mol. FormulaC13H20N4O2
Mol. Weight264.32
Melting Point80-81 °C
TSCAT
Boiling Point452.5±37.0 °C at 760 mmHg

别名和识别编码

Chemical NamePentifylline
CAS Number1028-33-7
Alfabeta NameHEXYLTHEOBROMINE N1--
MDL NumberMFCD00041424
Synonym Pentifylline {LY} Pentifylline {} {LY} Pentifylline {} {} {LY} Pentifylline {} {} {} {LY} Pentifylline {} {} {} {} {LY} Pentifylline {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentifylline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentifylline
EC Number213-842-0
Merck Number14,7127
Beilstein Registry Number0270632
Chemical Name Translation1-己基-3,7-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮
LabNetwork Molecule IDLN00118544
PubChem Substance ID70569
InChIInChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
Canonical SMILESCCCCCCN1C(=O)C2=C(N=CN2C)N(C)C1=O
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安全信息

Warnings IRRITANT-HARMFUL
RTECSUO8450000
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes Xi,Xn
Packing Groupn/a 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1040 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKYUA6 Yakkyoku.  Pharmacy.  (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo,
   Japan)  V.1-    1950-  Volume(issue)/page/year: 24,431,1973

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

其他信息

  • 1-正-己基可可碱价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L13597 1-正-己基可可碱, 98+% 1-n-Hexyltheobromine, 98+% 250mg 463元 2010/05/25 L13597 1-正-己基可可碱, 98+% 1-n-Hexyltheobromine, 98+% 1g 1288元
  • Alfa Aesar:1-正-己基可可碱,98+% 1-n-Hexyltheobromine, 98+%(1028-33-7)
  • MOL 文件:1028-33-7.mol
  • TSCA:T

系列性分类

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