benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

名称

[ CAS 号 ]:
102288-42-6

[ 英文名 ]:
benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

[英文别名 ]:

物理化学性质

[ 密度 ]:
1.2g/cm3

[ 沸点 ]:
619.5ºC at 760mmHg

[ 分子式 ]:
C₂₅H₃₇N₅O₅

[ 分子量 ]:
487.59200

[ 闪点 ]:
328.5ºC

[ 精确质量 ]:
487.27900

[ PSA ]:
122.59000

[ LogP ]:
1.79340

[ 蒸汽压 ]:
0mmHg at 25°C

[ 折射率 ]:
1.591

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5107120

CHEMICAL NAME :: Theophylline, 7-(3-(diisobutylamino)-2-hydroxypropyl)-, benzoate

CAS REGISTRY NUMBER :: 102288-42-6

BEILSTEIN REFERENCE NO. :: 0596893

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C25-H35-N5-O4

MOLECULAR WEIGHT :: 469.65

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 :: 1680 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: 56(4),180S,1960

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相关化合物

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