- 中文别名：硫酸软骨素
- 中文释义：硫酸软骨素;鲨鱼软骨素;硫酸骨胶盐
- 英文别名：(5ξ)-2-(Carboxyamino)-2-deoxy-3-O-β-D-glucopyranuronosyl-4-O-sulf o-α-L-arabino-hexopyranose;
chondroitin-4-sulfate;
Cholyltaurine;
2-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydrocyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid;
[14C]-Taurocholic acid;
chonodroitinsufuric acid - cas No.：9007-28-7
- 分子式：
(C14H21NO14S)n
- 分子量：479.36800
- 精确分子量：479.05800
- PSA：287.45000
- InChI：InChI=1/C14H23NO15S.Na/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22;/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26);/q;+1/p-1/t4-,5-,6-,7-,8+,9+,10-,11?,13-,14+;/m1./s1
- 分子结构式：
物化性质
- 外观与性状：
- 白色或淡黄色非晶形的粉末
安全信息
- 外观与性状：
- 白色或淡黄色非晶形的粉末
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GA8430000
- CHEMICAL NAME :
- Chondroitin sulfuric acids
- CAS REGISTRY NUMBER :
- 9007-28-7
- LAST UPDATED :
- 199701
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2340 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 6,506,1972 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 455 gm/kg/26W-I
- TOXIC EFFECTS :
- Behavioral - food intake (animal) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 6,478,1972
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1680 mg/kg/14D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 14,3371,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3876 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 19 (estimated) No. of Female Employees: 19 (estimated)
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）:-4.8
2.氢键供体数量:8
3.氢键受体数量:15
4.可旋转化学键数量:6
5.互变异构体数量:2
6.拓扑分子极性表面积:267
7.重原子数量:30
8.表面电荷:0
9.复杂度:739
10.同位素原子数量:0
11.确定原子立构中心数量:10
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