4-Thiazolecarboxamide,2-b-D-ribofuranosyl-
- 中文别名：噻唑呋林
- 中文释义：噻唑呋林
- 英文别名：2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide;
Tiazofurine;
Tiazofurina;
[3H]-Tiazofurin;
Tiazole;
TIAZOFURIN;
Tiazofurina [Spanish];
Riboxamide;
Tiazofurinum [Latin];
Tiazofurinum
- CAS No.：60084-10-8
- 分子式：C9H12N2O5S
- 分子量：260.29
- 精确分子量：260.04700
- PSA：154.14000
- InChI：The Key: FVRDYQYEVDDKCR-DBRKOABJSA-N
- 分子结构式：
物化性质
- 密度：
- 1.648g/cm3
- 沸点：
- 641.3ºC at 760 mmHg
- 闪点：
- 341.6ºC
- 折射率：
- 1.674
安全信息
- 密度：
- 1.648g/cm3
- 沸点：
- 641.3ºC at 760 mmHg
- 闪点：
- 341.6ºC
- 折射率：
- 1.674
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XJ3600000
- CHEMICAL NAME :
- 4-Thiazolecarboxamide, 2-beta-D-ribofuranosyl-
- CAS REGISTRY NUMBER :
- 60084-10-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 10
- MOLECULAR FORMULA :
- C9-H12-N2-O5-S
- MOLECULAR WEIGHT :
- 260.29
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 1135 mg/kg/15D-I
- TOXIC EFFECTS :
- Behavioral - headache Musculoskeletal - other changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 892 mg/kg/10D-I
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1684 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3400 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Blood - other changes
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1090 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Behavioral - fluid intake
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 3425 mg/kg
- SEX/DURATION :
- male 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
MUTATION DATA
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TEST SYSTEM :
- Rodent - mouse Lymphocyte
- DOSE/DURATION :
- 20 umol/L
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 45,5512,1985
海关数据
中国海关编码：2934100090
- 概述：
- 2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 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
- 摘要/Summary：
- 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:4
3.氢键受体数量:7
4.可旋转化学键数量:3
5.互变异构体数量:2
6.拓扑分子极性表面积:154
7.重原子数量:17
8.表面电荷:0
9.复杂度:305
10.同位素原子数量:0
11.确定原子立构中心数量:4
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
