8-Chloro-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione 8-氯-1,3-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮
CAS 85-18-7 MFCD00005581
化学结构图
SMILES: CN1C(=O)C2NC(Cl)=NC=2N(C)C1=O
化学属性
| Mol. Formula | C7H7ClN4O2 |
|---|---|
| Mol. Weight | 215 |
| Melting Point | 290 |
| TSCA | No |
| Solubility | 略溶于水 |
别名和识别编码
| Chemical Name | 8-Chloro-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione |
|---|---|
| CAS Number | 85-18-7 |
| Synonym | 1,3-Dimethyl-8-chloro-9H-purine-2,6(1H,3H)-dione 1,3-Dimethyl-8-chloroxanthine 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl- 8-CHLORO-1,3-DIMETHYL-2,6(1H,3H)-PURINEDIONE 8-CHLORO-1,3-DIMETHYL-2,6-PURINEDIONE 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE 8-CHLORO-1,3-DIMETHYLXANTHINE 8-CHLOROTHEOPHYLLINE 8-Chloro-1,2,3,6-tetrahydro-1,3-dimethyl-7H-purine-2,6-dione 8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione 8-Chloro-1,3-dimethyl-2,6-purinedione 8-Chloro-1,3-dimethyl-7H-purine-2,6-dione 8-Chloro-1,3-dimethylxanthine 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione 8-Chlorotheophylline 8-Chlorothephyline 8-c 8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione 8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-6-dione |
| MDL Number | MFCD00005581 |
| PubChem Substance ID | 87565447 |
| EC Number | 201-590-4 |
| Beilstein Registry Number | 203068 |
| Chemical Name Translation | 8-氯-1,3-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮 |
| Reaxys-RN | 203068 |
| LabNetwork Molecule ID | LN00193526 |
信息真实价格透明
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信息真实价格透明
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分类
- Heterocycles
- Nucleotides
- Bases & Related Reagents
产品应用
- A stimulant drug. It can be used as a binding agent to form stable salts of pharmaceutical drugs.
相关文献及参考
- Lyles, M. et al.: J. Med. Chem. 44, 4650 (2001).
安全信息
GHS Symbol
- H302 Harmful if swallowed 吞食有害
- 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；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
- R22 Harmful if swallowed 吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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。
- P301+P312
- P301+P312+P330
- P330 Rinse mouth. 漱口
- P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 270 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - excitement REFERENCE : APPNAH Acta Physiologica et Pharmacologica Neerlandica. (Amsterdam, Netherlands) V.1-15, 1950-69. For publisher information, see EJPHAZ. Volume(issue)/page/year: 2,63,1951
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 440 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : APPNAH Acta Physiologica et Pharmacologica Neerlandica. (Amsterdam, Netherlands) V.1-15, 1950-69. For publisher information, see EJPHAZ. Volume(issue)/page/year: 2,63,1951
其他信息
- 8-氯茶碱价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0293 8-氯茶碱 8-Chlorotheophylline 25G 216元 2014/06/02 C0293 8-氯茶碱 8-Chlorotheophylline 250G 1040元 2010/05/25 A12408 8-氯茶碱, 99% 8-Chlorotheophylline, 99% 250g 1211元
- 上游原料:碘 --> 咖啡因
- 图谱信息:8-氯茶碱(85-18-7)红外图谱(IR1) 8-氯茶碱(85-18-7)质谱(MS) 8-氯茶碱(85-18-7)红外图谱(IR2)
- Alfa Aesar:8-氯茶碱,99% 8-Chlorotheophylline, 99%(85-18-7)
- MSDS 信息:8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione(85-18-7).msds
- Sigma Aldrich:85-18-7(sigmaaldrich)
- 方法一:由咖啡因经氯化、水解而得。在反应锅内，加入咖啡因、四氯化碳-硝基苯混合液以及碘片，升温至80℃以下，通氯气反应3小时。升温至90-95℃，通氯约5小时以上，反应液完全澄清，得7，8-二氯咖啡因。加水，加热蒸馏，使馏出液澄清无甲醛味为止。冷冻结晶，甩滤，用乙醇、氯仿依次洗涤，甩干，得8-氯茶碱。收率为60%。
- MOL 文件:85-18-7.mol
- 用途一:抗过敏药物的中间体。
- TCI Shanghai:8-氯茶碱 8-Chlorotheophylline,>;98.0%(T)(85-18-7)
