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360-70-3 分子结构
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(1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl decanoate

ChemBase编号:6404
分子式:C28H44O3
平均质量:428.64716
单一同位素质量:428.32904527
SMILES和InChIs

SMILES:
O([C@@H]1[C@@]2([C@H]([C@H]3[C@H](CC2)[C@@H]2C(=CC(=O)CC2)CC3)CC1)C)C(=O)CCCCCCCCC
Canonical SMILES:
CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
InChI:
InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1
InChIKey:
JKWKMORAXJQQSR-MOPIKTETSA-N

引用这个纪录

CBID:6404 http://www.chembase.cn/molecule-6404.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl decanoate
(1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl decanoate
IUPAC传统名
nandrolone decanoate
商标名
Deca-Durabol
Deca-durabolin
Deca Durabolin
Retabolil
别名
Norandrostenolone decanoate
Nortestosterone decanoate
Nandrolone decanoate
17β-Hydroxy-19-nor-4-androsten-3-one 17-decanoate
17β-Hydroxy-4-estren-3-one 17-decanoate
4-Estren-17β-ol-3-one 17-decanoate
Decadurabolin
Nandrolone decanoate
19-Nortestosterone 17-decanoate
17β-Hydroxy-19-norandrost-4-en-3-one 17-Decanoate
17β-Hydroxyestr-4-en-3-one 17-Decanoate
17β-Hydroxyestr-4-en-3-one Decanoate
17β-Nandrolone laureate
17β-Nortestosterone laureate
19-Nor-17β-hydroxy-3-ketoandrost-4-ene 17-Decanoate
19-Norandrostenolone Decanoate
19-Nortestosterone 17β-Decanoate
19-Nortestosterone Decanoate
Anabolicum
Anabolin Forte
Deca-Durabol
Deca-Durabolin
Deca-Hybolin
Decanofort
Extraboline
Hybolin Decanoate
Nandrobolic LA
Retabolil
19-Nortestosterone 17-decanoate
CAS号
360-70-3
EC号
206-639-3
MDL号
MFCD00135100
PubChem SID
160969711
PubChem CID
9677

数据来源

数据来源

所有数据来源 商品来源 非商品来源

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 19.278885  质子受体
质子供体 LogD (pH = 5.5) 7.319018 
LogD (pH = 7.4) 7.319018  Log P 7.319018 
摩尔折射率 125.9401 cm3 极化性 49.98545 Å3
极化表面积 43.37 Å2 可自由旋转的化学键 10 
里宾斯基五规则 false 
Log P 5.96  LOG S -6.44 
溶解度 1.57e-04 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
3.09 mg/mL at 25 oC [YALKOWSKY,SH & HE,Y (2003)] expand 查看数据来源
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: soluble0.8 mg/mL expand 查看数据来源
DMSO: soluble10 mg/mL expand 查看数据来源
ethanol: soluble5 mg/mL expand 查看数据来源
H2O: insoluble expand 查看数据来源
外观
white to light yellow powder expand 查看数据来源
疏水性(logP)
2.62 [HANSCH,C ET AL. (1995)] expand 查看数据来源
RTECS编号
KG7967000 expand 查看数据来源
欧盟危险性物质标志
有害性(Harmful) 有害性(Harmful) (Xn) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
40 expand 查看数据来源
安全公开号
22-36 expand 查看数据来源
GHS危险品标识
GHS08 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H351 expand 查看数据来源
GHS警示性声明
P281 expand 查看数据来源
个人保护装置
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand 查看数据来源
毒品管制信息
USDEA Schedule III; Home Office Schedule 4.2; regulated under CDSA - not available from Sigma-Aldrich Canada expand 查看数据来源
保存温度
-20°C expand 查看数据来源
2-8°C expand 查看数据来源
纯度
98% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Sigma Aldrich Sigma Aldrich TRC TRC
DrugBank -  DB08804 external link
Item Information
Drug Groups illicit; approved
Description C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. It is a schedule III drug in the U.S.
Indication For the treatment of refractory deficient red cell production anemias, breast carcinoma, hereditary angioedema, antithrombin III deficiency, fibrinogen excess, growth failure and Turner's syndrome. It is also indicated in the prophylaxis of hereditary angioedema.
Pharmacology Nandrolone is an anabolic steroid occurring naturally in the human body, albeit in small quantities. Nandrolone increases production and urinary excretion of erythropoietin. It may also have a direct action on bone marrow. Nandrolone binds to the androgen receptor to a greater degree than testosterone, but due to its inability to act on the muscle in ways unmediated by the receptor, has less overall effect on muscle growth.
Affected Organisms
Humans and other mammals
Biotransformation Nandrolone is unusual in that unlike most anabolic steroids, it is not broken down into the more reactive DHT by the enzyme 5α-reductase, but rather into a less effective product known as Dihydronandrolone.
Protein Binding 58%
External Links
Wikipedia
Drugs.com
Sigma Aldrich -  N6633 external link
Biochem/physiol Actions
Anabolic steroid with a stimulatory effect on bone mass, muscle ultrastructure, and immune response.
Toronto Research Chemicals -  N315020 external link
Nandrolone Decanoate is an anabolic steroid. Nandrolone decanoate is used in the treatment of osteoporosis in postmenopausal women. Nandrolone Decanoate is also used for some aplastic anemias.Controlled Substance.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Dhem, A. et al.: Curr. Med. Res. Opin., 6, 606 (1980)
  • Lippi, G. et al.: Scand. J. Clin. Lab. Invest., 57, 507 (1980)
  • Frisoli, A. et al.: J. Gerontol. Ser. A Biol. Sci. Med. Sci., 60A, 648 (1980)
  • Sheashaa, H. et al.: Nephron, 99, c102 (1980)
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专利

专利

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