庚酸炔诺酮
- 中文名称：
- 庚酸炔诺酮
- 中文别名：
- 庚酸炔诺酮;
炔诺酮庚酸酯
- 英文名称：
- 19-Norpregn-4-en-20-yn-3-one,17-[(1-oxoheptyl)oxy]-, (17a)-
- 英文别名：
- Norethisterone enanthate;
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
- CAS No.：
- 3836-23-5
- 分 子 式：
-
C27H38O3
- 分 子 量：
- 410.59
- 精确分子量：
- 410.28200
- PSA：
- 43.37000
- EINECS：
- 223-326-7
- InChI：
- InChI=1/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H33
- 分子结构式：
-
- SDS：
- 查看
庚酸炔诺酮 物化性质
- 密度：
- 1.08 g/cm3
- 沸点：
- 515.3ºC at 760 mmHg
- 闪点：
- 219ºC
- 折射率：
- 1.54
庚酸炔诺酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RC8973000
- CHEMICAL NAME :
- 19-Nor-17-alpha-pregnen-20-ynone,
17-beta-heptanoyloxy-
- CAS REGISTRY NUMBER :
- 3836-23-5
- BEILSTEIN REFERENCE NO. :
- 3176529
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 15
- MOLECULAR FORMULA :
- C27-H38-O3
- MOLECULAR WEIGHT :
- 410.65
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 4 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - increased intraocular pressure
- REFERENCE :
- ADVPB4 Advances in Planned Parenthood. (Excerpta Medica, Inc., POB 3085,
Princeton, NJ 08540) V.1-16, 1967-81. Volume(issue)/page/year: 8,103,1972
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 4 mg/kg
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
Biochemical - Metabolism (Intermediary) - other proteins
- REFERENCE :
- SCYYDZ Shengzhi Yu Biyun. Reproduction and Contraception. (China
International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) 1980-
Volume(issue)/page/year: 12(4),13,1992
** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7000 mg/kg/70W
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Endocrine - tumors
Skin and Appendages - tumors
- REFERENCE :
- 36PYAS "Pharmacology of Steroid Contraceptive Drugs," Garattini, S. and H.W.
Berendes, eds., New York, Raven Press, 1977 Volume(issue)/page/year:
-,163,1977
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 4 mg/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - menstrual cycle changes or disorders
Reproductive - Fertility - female fertility index (e.g. # females pregnant
per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 5,21,1972
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 4 mg/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant
per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- AZOGBS Australian & New Zealand Journal of Obstetrics & Gynaecology. (254
Albert St., E. Melbourne, Vic., Australia) V.1- 1961-
Volume(issue)/page/year: 11,233,1971
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 4 mg/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant
per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- INJFA3 International Journal of Fertility. (Allen Press, 1041 New
Hampshire, St., Lawrence, KS 66044) V.1- 1955- Volume(issue)/page/year:
13,415,1968
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 24 mg/kg
- SEX/DURATION :
- female 6 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant
per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 25,333,1982
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 12 mg/kg
- SEX/DURATION :
- female 3 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - menstrual cycle changes or disorders
- REFERENCE :
- IJMRAQ Indian Journal of Medical Research. (Indian Council of Medical
Research, Ansari Nagar, New Delhi 110 029, India) V.1- 1913-
Volume(issue)/page/year: 69,93,1979
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 150 mg/kg
- SEX/DURATION :
- female 14-19 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
- REFERENCE :
- ENDOAO Endocrinology (Baltimore). (Williams & Wilkins Co., 428 E. Preston
St., Baltimore, MD 21203) V.1- 1917- Volume(issue)/page/year:
71,448,1962
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 48 mg/kg
- SEX/DURATION :
- male 1 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 :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 24,61,1981
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 100 mg/kg
- SEX/DURATION :
- female 10 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - ovaries, fallopian tubes
Reproductive - Maternal Effects - uterus, cervix, vagina
- REFERENCE :
- IJPPAZ Indian Journal of Physiology and Pharmacology. (All India Institute
of Medical Sciences, Dept. of Physiology, Ansari Nagar, New Delhi 110 029,
India) V.1- 1957- Volume(issue)/page/year: 25,151,1981
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Implant
- DOSE :
- 3483 ug/kg
- SEX/DURATION :
- male 6 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- ANDRDQ Andrologia. (Grosse Verlag GmbH, Kurfuerstenstr. 112-113, D-1000
Berlin 30, Fed. Rep. Ger.) V.6- 1974- Volume(issue)/page/year:
15,333,1983
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 4 mg/kg
- SEX/DURATION :
- female 5 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - uterus, cervix, vagina
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1-
1970- Volume(issue)/page/year: 12,529,1975
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 475 mg/kg
- SEX/DURATION :
- female 4-23 week(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
Reproductive - Effects on Newborn - stillbirth
- 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: 89,701,1964
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Implant
- DOSE :
- 5038 ug/kg
- SEX/DURATION :
- female 56 day(s) pre-mating
female 1-9 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 :
- IJEBA6 Indian Journal of Experimental Biology. (Publications & Information
Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963-
Volume(issue)/page/year: 19,416,1981
庚酸炔诺酮 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）:无
2.氢键供体数量:0
3.氢键受体数量:3
4.可旋转化学键数量:8
5.互变异构体数量:8
6.拓扑分子极性表面积:43.4
7.重原子数量:30
8.表面电荷:0
9.复杂度:770
10.同位素原子数量:0
11.确定原子立构中心数量:6
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
山东默派生物科技有限公司
庚酸炔诺酮
- 联系人：谭经理
- 电 话：13053322091
- 手 机：13053322091
- Cas号：3836-23-5
- 包装：1kg
- 纯度：99%
- 价格：洽谈
上海瀚思化工有限公司
庚酸炔诺酮
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- 手 机：18049821080
- Cas号：3836-23-5
- 包装：100mg
- 纯度：98%
- 价格：288.0元
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庚酸炔诺酮
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- 手 机：16621771607
- Cas号：3836-23-5
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- 纯度：
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炔诺酮庚酸酯
- 联系人：许
- 电 话：027-87887885
- 手 机：18971192287
- Cas号：3836-23-5
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- 纯度：99
- 价格：10.0元
