D-甲状腺素

沸点：

576.3ºC at 760mmHg

闪点：

302.3ºC

蒸汽压：

4.02E-14mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :

XP3582990

CHEMICAL NAME :

Thyroxine, monosodium salt, D-

CAS REGISTRY NUMBER :

137-53-1

LAST UPDATED :

199709

DATA ITEMS CITED :

7

MOLECULAR FORMULA :

C15-H10-I4-N-O4.Na

MOLECULAR WEIGHT :

798.85

WISWESSER LINE NOTATION :

QR BI FI DOR BI FI D1YZVO &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

12 ug/kg/12D-I

TOXIC EFFECTS :

Liver - hepatitis (hepatocellular necrosis), diffuse Liver - liver function tests impaired Nutritional and Gross Metabolic - body temperature increase

REFERENCE :

JJMDAT Japanese Journal of Medicine. (Nankodo Co., Ltd., POB 5272, Tokyo International 100-31, Japan) V.1-30, 1962-1991. For publisher information, see IEDIEP. Volume(issue)/page/year: 23,282,1984 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1500 mg/kg/30D-C

TOXIC EFFECTS :

Vascular - BP elevation not characterized in autonomic section Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

REFERENCE :

TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 29,207,1970

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

222 mg/kg/24W-C

TOXIC EFFECTS :

Vascular - BP elevation not characterized in autonomic section Kidney, Ureter, Bladder - changes in bladder weight Endocrine - evidence of thyroid hyperfunction

REFERENCE :

TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 29,565,1970 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

29 mg/kg

SEX/DURATION :

female 1-29 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetal death

REFERENCE :

DABBBA Dissertation Abstracts International, B: The Sciences and Engineering. (University Microfilms International, 300 N. Zeeb Rd., Ann Arbor, MI 48106) V.30- 1969- Volume(issue)/page/year: 32,1182,1971

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

15 mg/kg

SEX/DURATION :

female 15-29 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - physical

REFERENCE :

DABBBA Dissertation Abstracts International, B: The Sciences and Engineering. (University Microfilms International, 300 N. Zeeb Rd., Ann Arbor, MI 48106) V.30- 1969- Volume(issue)/page/year: 32,1182,1971

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

16 mg/kg

SEX/DURATION :

female 16-31 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

REFERENCE :

SDMEAL South Dakota Journal of Medicine. (South Dakota Medical Assoc., 608 West Ave. N, Sioux Falls, SD 57104) V.18- 1965- Volume(issue)/page/year: 21,33,1968 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5407 No. of Facilities: 9 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 63 (estimated) No. of Female Employees: 9 (estimated)

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:2

3.氢键受体数量:5

4.可旋转化学键数量:5

5.互变异构体数量:2

6.拓扑分子极性表面积95.6

7.重原子数量:25

8.表面电荷:0

9.复杂度:426

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

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:2

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  D-甲状腺素红外图谱(IR1)