1H-Purine-2,6-dione,1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-
- 中文别名：1-(2,3-二羟基丙基)-3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮
- 中文释义：1-(2,3-dihydroxypropyl)-3,7-dimethylpurine-2,6-dione
- 英文别名：1-(2,3-dihydroxypropyl)-3,7-dimethylpurine-2,6-dione;
1-(2,3-dihydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione;
EINECS 236-660-3;
Theocardin;
Theocardine;
1-Dihydroxypropyltheobromine;
1-(2,3-Dihydroxypropyl)-theobromin;
1-(2,3-Dihydoxypropyl)-theobromin;
1-(2,3-Dihydroxypropyl)theobromine;
Isobromin;
1-(2,3-Dihydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purin-2,6-dion;
1-(2,3-Dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
- CAS No.：13460-96-3
- 分子式：
C10H14N4O4
- 分子量：254.24256
- 精确分子量：254.10200
- PSA：102.28000
- InChI：The Key: RRBSZTYIWIHPST-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.57g/cm3
- 沸点：
- 592.3ºC at 760mmHg
- 闪点：
- 312ºC
- 折射率：
- 1.688
- 蒸汽压：
- 7.11E-15mmHg at 25°C
安全信息
- 密度：
- 1.57g/cm3
- 沸点：
- 592.3ºC at 760mmHg
- 闪点：
- 312ºC
- 折射率：
- 1.688
- 蒸汽压：
- 7.11E-15mmHg at 25°C
毒理性
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
海关数据
中国海关编码：2933990090
- 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
- 摘要/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%
