1-9-Luteinizinghormone-releasing factor (swine),6-[1-(phenylmethyl)-D-histidine]-9-(N-ethyl-L-prolinamide)-
- 中文别名：组氨瑞林
- 中文释义：组氨瑞林;2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-(hydroxymethyl)-, (3aS,4R,5S,6aR)-;(3as,4R,5S,6ar)-(+)-hexahydro-5-hydroxy-4-hoch2-2;(+)-Corey内酯二醇;(3aS,4R,5S,6aR)-(+)-六氢-5-羟基-4-羟甲基-2H-环戊并[b]呋喃-2-酮;2-(Propane-2-Sulfonyl)-Phenylamine;2-(Isoprop
- 英文别名：histrelin;
Histrelin
- CAS No.：76712-82-8
- 分子式：
C66H86N18O12
- 分子量：1323.51
- 精确分子量：1322.67000
- PSA：446.86000
- MDL：MFCD00133494
- InChI：InChI=1/C66H86N18O12.C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-
- 分子结构式：
物化性质
- 外观与性状：
- 白色或近乎于白色冻干的粉末
- 密度：
- 1.46 g/cm3
- 沸点：
- 1800.6ºC at 760 mmHg
- 闪点：
- 1042.8ºC
安全信息
- 外观与性状：
- 白色或近乎于白色冻干的粉末
- 密度：
- 1.46 g/cm3
- 沸点：
- 1800.6ºC at 760 mmHg
- 闪点：
- 1042.8ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- OK6370800
- CHEMICAL NAME :
- Luteinizing hormone releasing factor (pig), 6-(1-(phenylmethyl)-D-histidine)-9-(N-ethyl-L- prolinamide)-10-deglycinamide-
- CAS REGISTRY NUMBER :
- 76712-82-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C66-H86-N18-O12
- MOLECULAR WEIGHT :
- 1323.70
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 46 ug/kg
- SEX/DURATION :
- male 2 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands Reproductive - Paternal Effects - other effects on male
- REFERENCE :
- JOAND3 Journal of Andrology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1980- Volume(issue)/page/year: 7,140,1986
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 4667 ug/kg
- SEX/DURATION :
- male 8 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
- REFERENCE :
- JOAND3 Journal of Andrology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1980- Volume(issue)/page/year: 7,140,1986
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 2333 ug/kg
- SEX/DURATION :
- male 4 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
- REFERENCE :
- JOAND3 Journal of Andrology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1980- Volume(issue)/page/year: 7,140,1986
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）:0.7
2.氢键供体数量:15
3.氢键受体数量:15
4.可旋转化学键数量:34
5.互变异构体数量:1000
6.拓扑分子极性表面积449
7.重原子数量:96
8.表面电荷:0
9.复杂度:2660
10.同位素原子数量:0
11.确定原子立构中心数量:9
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
