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1-(2,3-二羟基丙基)-3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮

名称

[ CAS 号 ]:
13460-96-3

[ 中文名 ]:
1-(2,3-二羟基丙基)-3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮

[ 英文名 ]:
1H-Purine-2,6-dione,1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-

[英文别名 ]:

EINECS 236-660-3
Theocardin
Theocardine
1-Dihydroxypropyltheobromine
1-(2,3-Dihydroxypropyl)-theobromin
1-(2,3-Dihydoxypropyl)-theobromin
1-(2,3-Dihydroxypropyl)theobromine
Isobromin

物理化学性质

[ 密度 ]:
1.57g/cm3

[ 沸点 ]:
592.3ºC at 760mmHg

[ 分子式 ]:
C₁₀H₁₄N₄O₄

[ 分子量 ]:
254.24300

[ 闪点 ]:
312ºC

[ 精确质量 ]:
254.10200

[ PSA ]:
102.28000

[ 蒸汽压 ]:
7.11E-15mmHg at 25°C

[ 折射率 ]:
1.688

[ 储存条件 ]:
2-8℃

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH2378700

CHEMICAL NAME :: Theobromine, 1-(2,3-dihydroxypropyl)-

CAS REGISTRY NUMBER :: 13460-96-3

BEILSTEIN REFERENCE NO. :: 0284032

LAST UPDATED :: 199706

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H14-N4-O4

MOLECULAR WEIGHT :: 254.28

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 F1 H1YQ1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3370 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,457,1956

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1920 mg/kg

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

REFERENCE :: APPHAX Acta Poloniae Pharmaceutica. For English translation, see APPFAR. (Ars Polona, POB 1001, 00-680 Warsaw 1, Poland) V.1- 1937- Volume(issue)/page/year: 18,335,1961

安全信息

[ 海关编码 ]:
2933990090

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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%