地肽瑞里

折射率：

1.658

CHEMICAL IDENTIFICATION

RTECS NUMBER :

AY2961800

CHEMICAL NAME :

D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-pheny lalanyl-D-tryptophyl- L-seryl-L-tyrosyl-N(sup 6)-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-L-argi nyl-L-prolyl-

CAS REGISTRY NUMBER :

89662-30-6

LAST UPDATED :

199706

DATA ITEMS CITED :

7

MOLECULAR FORMULA :

C78-H105-Cl-N18-O13

MOLECULAR WEIGHT :

1538.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>40 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>1200 ug/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis Skin and Appendages - hair

REFERENCE :

FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Primate - monkey

DOSE/DURATION :

>20 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Primate - monkey

DOSE/DURATION :

>500 ug/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

REFERENCE :

FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

34 mg/kg/12W-C

TOXIC EFFECTS :

Behavioral - food intake (animal) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Related to Chronic Data - changes in testicular weight

REFERENCE :

FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Primate - monkey

DOSE/DURATION :

17 mg/kg/12W-C

TOXIC EFFECTS :

Skin and Appendages - dermatitis, other (after systemic exposure) Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight

REFERENCE :

FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 17,505,1991 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

1400 ug/kg

SEX/DURATION :

female 27 day(s) after conception

TOXIC EFFECTS :

Reproductive - Maternal Effects - menstrual cycle changes or disorders Reproductive - Maternal Effects - other effects Endocrine - changes in luteinizing hormone

REFERENCE :

JCEMAZ Journal of Clinical Endocrinology and Metabolism. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.12- 1952- Volume(issue)/page/year: 72,927,1991

计算化学数据

1.疏水参数计算参考值（XlogP）:5.1

2.氢键供体数量:18

3.氢键受体数量:15

4.可旋转化学键数量:44

5.互变异构体数量:996

6.拓扑分子极性表面积:480

7.重原子数量:110

8.表面电荷:0

9.复杂度:3060

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