卡前列素; (Z)-7-[(3R,5S)-3,5-二羟基-2-[(E,3S)-3-羟基-3-甲基辛-1-烯基]环戊基]庚-5-烯酸

外观与性状：

白色或近乎于白色粉末

密度：

1.153g/cm3

熔点：

79-82ºC

沸点：

531ºC at 760 mmHg

闪点：

289ºC

折射率：

1.569

稳定性相关：

本品为棕黄色透明油状物，冷后呈蜡状，微有特殊气味。是PGF_2α的衍生物。它兴奋子宫平滑肌的作用比PGF_2α强20-100倍。

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R36:Irritating to the eyes.

安全说明：

S26-S37/39

RTECS号：

TU0175000

危险标志：

Xi

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UK8021000

CHEMICAL NAME :

Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9-alpha,11-alpha,13E,15S)-

CAS REGISTRY NUMBER :

35700-23-3

LAST UPDATED :

199612

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C21-H36-O5

MOLECULAR WEIGHT :

368.57

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

5 ug/kg

SEX/DURATION :

female 14 week(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - abortion

REFERENCE :

JOGBAS Journal of Obstetrics and Gynaecology of the British Commonwealth. (London, UK) V.68-81, 1961-74. For publisher information, see BJOGAS. Volume(issue)/page/year: 79,737,1972

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

12 ug/kg

SEX/DURATION :

female 30 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - abortion

REFERENCE :

PRGLBA Prostaglandins. (Geron-X, Inc., P.O. Box 1108, Los Altos, CA 94022) V.1- 1972- Volume(issue)/page/year: 14,785,1977

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraplacental

DOSE :

10 ug/kg

SEX/DURATION :

female 13 week(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - abortion

REFERENCE :

JOGBAS Journal of Obstetrics and Gynaecology of the British Commonwealth. (London, UK) V.68-81, 1961-74. For publisher information, see BJOGAS. Volume(issue)/page/year: 79,737,1972

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravaginal

DOSE :

60 ug/kg

SEX/DURATION :

female 42 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - abortion

REFERENCE :

CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 21,273,1980

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravaginal

DOSE :

10 ug/kg

SEX/DURATION :

female 15 week(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - abortion

REFERENCE :

JOGBAS Journal of Obstetrics and Gynaecology of the British Commonwealth. (London, UK) V.68-81, 1961-74. For publisher information, see BJOGAS. Volume(issue)/page/year: 79,737,1972

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

100 ug/kg

SEX/DURATION :

female 10 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

REFERENCE :

CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 8,540,1987

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravaginal

DOSE :

500 ug/kg

SEX/DURATION :

female 1 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - other measures of fertility

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: 151,575,1976 *** REVIEWS *** TOXICOLOGY REVIEW AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 113,130,1972

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:4

3.氢键受体数量:5

4.可旋转化学键数量:12

5.互变异构体数量:无

6.拓扑分子极性表面积98

7.重原子数量:26

8.表面电荷:0

9.复杂度:473

10.同位素原子数量:0

11.确定原子立构中心数量:5

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:2

14.不确定化学键立构中心数量:0

15.共价键单元数量:1