1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-propyl-
- 中文别名：1-N-丙基-3,7-二甲基黄嘌呤
- 英文别名：3,7-dimethyl-1-propylpurine-2,6-dione;
Theobromine,n-propyl derivative;
1-n-Propyl-3,7-dimethylxanthine;
3,7-dimethyl-1-propyl-3,7-dihydro-1h-purine-2,6-dione;
1-Propyl theobromine;
Theobromine,1-propyl
- CAS No.：63906-63-8
- 分子式：
C10H14N4O2
- 分子量：222.28
- 精确分子量：222.11200
- PSA：61.82000
- InChI：The Key: XJKSERUTELYNMR-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.34g/cm3
- 沸点：
- 427ºC at 760mmHg
- 闪点：
- 212ºC
- 折射率：
- 1.638
安全信息
- 密度：
- 1.34g/cm3
- 沸点：
- 427ºC at 760mmHg
- 闪点：
- 212ºC
- 折射率：
- 1.638
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH2480000
- CHEMICAL NAME :
- Theobromine, 1-propyl-
- CAS REGISTRY NUMBER :
- 63906-63-8
- BEILSTEIN REFERENCE NO. :
- 0023217
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H14-N4-O2
- MOLECULAR WEIGHT :
- 222.28
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ B1 F1 H3
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 26 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Gastrointestinal - nausea or vomiting Skin and Appendages - sweating
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 126 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
MUTATION DATA
- TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Human Cells - not otherwise specified
- DOSE/DURATION :
- 4 mmol/L
- REFERENCE :
- BIOJAU Biophysical Journal. (Rockefeller Univ. Press, 1230 York Ave., New York, NY 10021) V.1- 1960- Volume(issue)/page/year: 35,665,1981
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%
