1H-Purine-2,6-dione, 8-hexyl-3,7-dihydro-1,3-dimethyl- (9CI)

名称

[ CAS 号 ]:
5429-37-8

[ 英文名 ]:
1H-Purine-2,6-dione, 8-hexyl-3,7-dihydro-1,3-dimethyl- (9CI)

[英文别名 ]:

8-Hexyltheophylline
Theophylline,8-hexyl
8-n-Hexyl-theophyllin
Xanthine,1,3-dimethyl-8-hexyl
8-hexyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

物理化学性质

[ 密度 ]:
1.191g/cm3

[ 沸点 ]:
482.2ºC at 760 mmHg

[ 分子式 ]:
C₁₃H₂₀N₄O₂

[ 分子量 ]:
264.32300

[ 闪点 ]:
245.4ºC

[ 精确质量 ]:
264.15900

[ PSA ]:
72.68000

[ LogP ]:
1.08310

[ 折射率 ]:
1.555

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5700000

CHEMICAL NAME :: Theophylline, 8-hexyl-

CAS REGISTRY NUMBER :: 5429-37-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H20-N4-O2

MOLECULAR WEIGHT :: 264.37

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ C6 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

点击显示

安全信息

[ 海关编码 ]:
2933990090

海关

[ 海关编码 ]: 2933990090

[ 中文概述 ]:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%