3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt

3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt 基本信息
CAS号 1010-59-9 分子式 C7H7N4NaO2
分子量 202.14600 精确质量  202.04700
PSA  61.82000 LogP  -1.25390

基本信息 展开↓

CAS号:
1010-59-9
3D弹球模型:
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分子式:
C7H7N4NaO2
分子量:
202.14600
中文名称:
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt
英文名称:
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt
中文别名:
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt
英文别名:
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt;
3-octadecylsulfanyl-propane-1,2-diol;
Theobromin-natrium;
1-S-octadecyl-rac-thioglycerol;
Thiobatylalkohol;
1-sodiotheobromine;
octadecylthio-1 propanediol-2,3;
sodium theobromine;
(+-)-2.3-Dihydroxypropyl-octadecyl-sulfid;
1-octadecylthio-rac-glycerol;
2.3-Dihydroxypropyl-octadecan-sulfid;
DL-thiobatyl alcohol;
theobromine sodium salt
精确分子量/精确质量:
202.04700
极性分子表面积/PSA:
61.82000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: OZHPKSFNBCNLER-UHFFFAOYSA-M

物化性质展开↓

蒸汽压:
1.23E-10mmHg at 25°C

安全信息展开↓

海关代码:
2933990090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH2525000
CHEMICAL NAME :
Theobromine, sodium salt
CAS REGISTRY NUMBER :
1010-59-9
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-N4-O2.Na
MOLECULAR WEIGHT :
203.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 6,211,1951

海关数据查看详细

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%

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