异炔诺酮
- 中文名称：
- 异炔诺酮
- 中文别名：
- 异炔诺酮;
異降雄甾炔酮
- 英文名称：
- 19-Norpregn-5(10)-en-20-yn-3-one,17-hydroxy-, (17a)-
- 英文别名：
- (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;
SC-4642;
Enovid;
Norethynodrel [Progestins];
norethynodrel;
Noretynodrel;
Noretinodrel [DCIT];
19-Norethynodrel;
Norethinodrel;
Lynestrol
- CAS No.：
- 68-23-5
- 分 子 式：
-
C20H26O2
- 分 子 量：
- 298.46
- 精确分子量：
- 298.19300
- PSA：
- 37.30000
- EINECS：
- 200-682-1
- InChI：
- The Key: ICTXHFFSOAJUMG-OQPPHWFISA-N3
- 风险术语：
- R45; R61
- 安全术语：
- Suspected carcinogen with experimental tumorigenic data. Human and experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
- 分子结构式：
-
- SDS：
- 查看
异炔诺酮 物化性质
- 密度：
- 1.15g/cm3
- 熔点：
- 169-170ºC
- 沸点：
- 441.6ºC at 760 mmHg
- 闪点：
- 188.2ºC
- 折射率：
- 1.577
异炔诺酮 安全信息
- WGK_Germany：
- 3
德国有关水污染物质的分类清单
- 危险类别码：
- 45-61
- RTECS号：
- RC8980000
异炔诺酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RC8980000
- CHEMICAL NAME :
- 19-Nor-17-alpha-pregn-5(10)-en-20-yn-3-one,
17-hydroxy-
- CAS REGISTRY NUMBER :
- 68-23-5
- BEILSTEIN REFERENCE NO. :
- 2389771
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 48
- MOLECULAR FORMULA :
- C20-H26-O2
- MOLECULAR WEIGHT :
- 298.46
- WISWESSER LINE NOTATION :
- L E5 B666 OV MUTJ E1 F1UU1 QQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 54900 mg/kg/17W-C
- TOXIC EFFECTS :
- Behavioral - alteration of operant conditioning
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 60 mg/kg/17W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Liver - other changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 135 mg/kg/83W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Reproductive - Tumorigenic effects - ovarian tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 120 mg/kg/78W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Reproductive - Tumorigenic effects - ovarian tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Implant
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 119 mg/kg/77W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Tumorigenic - increased incidence of tumors in susceptible strains
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 8 mg/kg
- SEX/DURATION :
- female 16 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - other measures of fertility
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 8 mg/kg
- SEX/DURATION :
- female 20 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - menstrual cycle changes or disorders
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 480 mg/kg
- SEX/DURATION :
- female 26 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant
per # sperm positive females; # females pregnant per # females mated)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 1 mg/kg
- SEX/DURATION :
- female 20 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects
Reproductive - Fertility - female fertility index (e.g. # females pregnant
per # sperm positive females; # females pregnant per # females mated)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 4200 ug/kg
- SEX/DURATION :
- female 21 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - menstrual cycle changes or disorders
Reproductive - Fertility - other measures of fertility
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 25 mg/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - oogenesis
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 2-3 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)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 2-3 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant
per # sperm positive females; # females pregnant per # females mated)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 100 mg/kg
- SEX/DURATION :
- female 17-20 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 150 mg/kg
- SEX/DURATION :
- female 10-12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Effects on Newborn - stillbirth
Reproductive - Effects on Newborn - live birth index (measured after birth)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 12 mg/kg
- SEX/DURATION :
- male 30 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
accessory glands
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 2100 ug/kg
- SEX/DURATION :
- female 14 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - uterus, cervix, vagina
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 240 mg/kg
- SEX/DURATION :
- male 30 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
accessory glands
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 1400 ug/kg
- SEX/DURATION :
- female 14 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - ovaries, fallopian tubes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 3 mg/kg
- SEX/DURATION :
- male 30 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
accessory glands
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 66400 ng/kg
- SEX/DURATION :
- female 10-17 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)
Reproductive - Specific Developmental Abnormalities - urogenital system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 500 ug/kg
- SEX/DURATION :
- female 3 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant
per # sperm positive females; # females pregnant per # females mated)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 500 ug/kg
- SEX/DURATION :
- female 3 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)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 12600 ug/kg
- SEX/DURATION :
- female 3 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - other measures of fertility
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 60 mg/kg
- SEX/DURATION :
- female 17-20 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - breasts, lactation (prior to or during
pregnancy)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- DOSE :
- 9600 ug/kg
- SEX/DURATION :
- female 48 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - ovaries, fallopian tubes
Reproductive - Maternal Effects - uterus, cervix, vagina
Reproductive - Maternal Effects - menstrual cycle changes or disorders
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 25 mg/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - other measures of fertility
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 80 mg/kg
- SEX/DURATION :
- female 8-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Effects on Embryo or Fetus - fetal death
Reproductive - Specific Developmental Abnormalities - craniofacial
(including nose and tongue)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 450 ug/kg
- SEX/DURATION :
- female 8-10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - eye/ear
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 900 ug/kg
- SEX/DURATION :
- female 11-13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 12 mg/kg
- SEX/DURATION :
- female 2 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
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 240 mg/kg
- SEX/DURATION :
- female 8-10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 50 mg/kg
- SEX/DURATION :
- female 10 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
accessory glands
Reproductive - Maternal Effects - other effects
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 50 ug/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - other measures of fertility
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 4600 ug/kg
- SEX/DURATION :
- female 1-2 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)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 5 mg/kg
- SEX/DURATION :
- female 5 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - uterus, cervix, vagina
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 50 ug/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - other measures of fertility
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- DOSE :
- 2400 ug/kg
- SEX/DURATION :
- female 3 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects
Reproductive - Fertility - mating performance (e.g. # sperm positive females
per # females mated; # copulations per # estrus cycles)
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
MUTATION DATA
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Mammal - cattle Cells - not otherwise specified
- DOSE/DURATION :
- 100 ug/L
- REFERENCE :
- 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: 120,390,1974
*** REVIEWS ***
IARC Cancer Review:Animal Limited Evidence
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 21,461,1979
TOXICOLOGY REVIEW
ACEDAB Acta Endocrinologica, Supplementum (Copenhagen). (Periodica,
Skolegade 12 E, DK-2500 Valby, Denmark) No.1- 1948-
Volume(issue)/page/year: 185,169,1974
TOXICOLOGY REVIEW
COGYAK Clinical Obstetrics and Gynecology. (Lippincott/Harper, Journal
Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1958-
Volume(issue)/page/year: 16(4),37,1973
异炔诺酮 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）:2.1
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:1
5.互变异构体数量:8
6.拓扑分子极性表面积:37.3
7.重原子数量:22
8.表面电荷:0
9.复杂度:606
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:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
推荐供应商
湖北永阔科技有限公司
异炔诺酮
- 联系人：黄蓉
- 电 话：027-59223108
- 手 机：15107166787
- Cas号：68-23-5
- 包装：10kg
- 纯度：99%
- 价格：洽谈
