地肽瑞里
- 中文名称：
- 地肽瑞里
- 中文别名：
- 地肽瑞里
- 英文名称：
- D-Alaninamide,N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-N6-[(ethylamino)(ethylimino)methyl]-D-lysyl-L-leucyl-L-arginyl-L-prolyl-
- 英文别名：
- Deterelix;
Detirelix;
Detirelex;
N-Acetyl-3-(2-naphtyl)-D-Ala-4-chloro-D-Phe-D-Trp-L-Ser-L-Tyr-N6-(N,N'-diethylamidino)-D-Lys-L-Leu-L-Arg-L-Pro-D-Ala-NH2
- CAS No.：
- 89662-30-6
- 分 子 式：
-
C78H105ClN18O13
- 分 子 量：
- 0
- 精确分子量：
- 1536.78000
- PSA：
- 479.87000
- InChI：
- The Key: OFQNFLLLCMQNEP-MIPXGPCFSA-N3
- 分子结构式：
-
- SDS：
- 查看
地肽瑞里 毒理性
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
地肽瑞里 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）: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
