cas号： 113-80-4 ，名称：精氨缩宫素的性质/作用/用途-化学加百科

精氨缩宫素

精氨缩宫素基本信息
CAS号	113-80-4	分子式	C43H67N15O12S2
分子量	1050.22000	精确质量	1049.45000
PSA	512.03000	LogP	0.96440

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基本信息物化性质毒性结构与计算数据

基本信息展开↓

CAS号：: 113-80-4
3D弹球模型：: 立即前往扯扯看
分子式：: C43H67N15O12S2
分子量：: 1050.22000
中文名称：: 精氨缩宫素
英文名称：: vasotocin
中文别名：: 精氨缩宫素;
CYS-TYR-ILE-GLN-ASN-CYS-PRO-ARG-GLY-NH2(DISULFIDE BRIDGE:CYS1-CYS6)
英文别名：: vasotocin;
CYIQNCPRG-NH2;
CYS-TYR-ILE-GLN-ASN-CYS-PRO-ARG-GLY-NH2;
VASOTOCIN ARG 8;
8-argininevasotocin;
AVT;
[ARG8]-VASOTOCIN;
arginine-vasopressin;
argiprestocin;
(arg(sup8))oxytocin
精确分子量/精确质量：: 1049.45000
极性分子表面积/PSA：: 512.03000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：: The Key: OXDZADMCOWPSOC-BQGUCLBMSA-N

物化性质展开↓

密度：: 1.59g/cm3
折射率：: 1.713
存储条件/存储方法：: 库房通风低温干燥
稳定性相关：: 可燃; 燃烧产生有毒氮氧化物和硫氧化物烟雾

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RS7534500

CHEMICAL NAME :: Oxytocin, 8-L-arginine-

CAS REGISTRY NUMBER :: 113-80-4

LAST UPDATED :: 199706

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C43-H67-N15-O12-S2

MOLECULAR WEIGHT :: 1050.37

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 625 ug/kg

SEX/DURATION :: male 5 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)

REFERENCE :: BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 37,935,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 80 ug/kg

SEX/DURATION :: female 19 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - menstrual cycle changes or disorders

REFERENCE :: INJFA3 International Journal of Fertility. (Allen Press, 1041 New Hampshire, St., Lawrence, KS 66044) V.1- 1955- Volume(issue)/page/year: 21,65,1976

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 80 ug/kg

SEX/DURATION :: female 1-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - abortion

REFERENCE :: INJFA3 International Journal of Fertility. (Allen Press, 1041 New Hampshire, St., Lawrence, KS 66044) V.1- 1955- Volume(issue)/page/year: 21,65,1976

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 120 ug/kg

SEX/DURATION :: male 3 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

REFERENCE :: INJFA3 International Journal of Fertility. (Allen Press, 1041 New Hampshire, St., Lawrence, KS 66044) V.1- 1955- Volume(issue)/page/year: 19,103,1974

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 80 ug/kg

SEX/DURATION :: female 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :: PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 133,1254,1970

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 24 ug/kg

SEX/DURATION :: male 3 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

REFERENCE :: INJFA3 International Journal of Fertility. (Allen Press, 1041 New Hampshire, St., Lawrence, KS 66044) V.1- 1955- Volume(issue)/page/year: 19,103,1974

分子结构与计算化学数据展开↓

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:14

3.氢键受体数量:16

4.可旋转化学键数量:19

5.互变异构体数量:1001

6.拓扑分子极性表面积515

7.重原子数量:72

8.表面电荷:0

9.复杂度:1990

10.同位素原子数量:0

11.确定原子立构中心数量:7

12.不确定原子立构中心数量:2

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