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诺司孕甾酮 | 25092-41-5

诺司孕甾酮结构式图片|25092-41-5结构式图片
诺司孕甾酮
17α-Acetyloxy-11β-methyl-19-norprogesterone
25092-41-5
C23H32O4
372.49778
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:诺司孕甾酮结构式
9820838
简介
诺司孕甾酮是一种化学药品,分子式是C23H32O4。
名称和标识符
InChIKey IWSXBCZCPVUWHT-FCKDCKNLSA-N
Inchi 1S/C23H32O4/c1-13-12-22(4)20(9-10-23(22,14(2)24)27-15(3)25)19-7-5-16-11-17(26)6-8-18(16)21(13)19/h11,13,18-21H,5-10,12H2,1-4H3/t13-,18-,19-,20-,21+,22-,23-/m0/s1
SMILES O=C1CC[C@@H]2C3[C@@H](C)C[C@@]4([C@@](CC[C@H]4[C@@H]3CCC2=C1)(OC(=O)C)C(=O)C)C
别名信息
- 中文别名 -
  • 诺司孕甾酮
  • 诺孕美特
  • (2E)-3-(1,3-苯并二氧杂环戊-5-基)-2-丙烯酸
  • 诺司孕甾酮(诺孕美特)
  • 诺孕美特,In-house Standard
- 英文别名 -
  • norgestomet
  • 17α-Acetyloxy-11β-methyl-19-norprogesterone
  • 17α-Acetyloxy-11β-me
  • Norprogesterone
  • [(8R,9S,10R,11S,13S,14S,17R)-17-acetyl-11,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • 17-Hydroxy-11b-methyl-19-norpregn-4-ene-3,20-dione acetate
  • 17-(acetyloxy)-11 beta-methyl-19-norpregn-4-ene-3,20-dione
  • SCHEMBL140382
  • Norgestometum [INN-Latin]
  • NORGESTOMET [INN]
  • Norgestomet [USAN:INN:BAN]
  • 25092-41-5
  • 17-(Acetyloxy)-11-beta-methyl-19-norpregn-4-ene-3,20-dione
  • D05210
  • NORGESTOMET [USAN]
  • DTXSID901016491
  • Norgestometum
  • SC-21009
  • BDBM50587263
  • 17alpha-Acetyloxy-11beta-methyl-19-norprogesterone
  • 11beta-Methyl-3,20-dioxo-19-nor-4-pregnen-17-yl acetat
  • AKOS040744418
  • Q21098963
  • 3L33UD42X4
  • 17-alpha-Acetoxy-11-beta-19-norpreg-4-ene-3,20-dione
  • NORGESTOMET [MART.]
  • 19-Norpregn-4-ene-3,20-dione, 17-(acetyloxy)-11-methyl-, (11beta)-
  • DTXCID101474681
  • 17?-Acetyloxy-11?-methyl-19-norprogesterone
  • 19-norpregn-4-ene-3,20-dione, 17-(acetyloxy)-11-methyl-, (11-beta)-
  • [(8R, 9S, 10R, 11S, 13S, 14S, 17R)-17-acetyl-11, 13-dimethyl-3-oxo-1, 2, 6, 7, 8, 9, 10, 11, 12, 14, 15, 16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • SC 21009
  • NORGESTOMET
  • 17-Hydroxy-11beta-methyl-19-norpregn-4-ene-3,20-dione acetate
  • CHEMBL2104744
  • UNII-3L33UD42X4
  • EINECS 246-611-8
  • NORGESTOMET (MART.)
  • 19-Norpregn-4-ene-3,20-dione, 17-(acetyloxy)-11-methyl-, (11.beta.)-
  • Norgestometum (INN-Latin)
  • 19-Norpregn-4-ene-3,20-dione, 17-hydroxy-11-beta-methyl-, acetate
  • NORGESTOMET [GREEN BOOK]
  • Norgestomet (USAN/INN)
  • DB11440
物化性质
实验特性
LogP 4.26510
PSA 60.44000
折射率 1.54 
沸点 495.8°Cat760mmHg
闪点 214.1°C
密度 1.14
计算特性
精确分子量 372.23000
氢键供体数量 0
氢键受体数量 4
可旋转化学键数量 3
同位素质量 372.23
重原子数量 27
复杂度 722
同位素原子数量 0
确定原子立构中心数量 7
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.1
拓扑分子极性表面积 60.4A^2
国际标准相关数据
EINECS 246-611-8
相关文献
  • 1. Azasteroids. Part III. The synthesis of 8-aza-19-norprogesterone
    J. Bowler,R. Clarkson J. Chem. Soc. C 1968 2975
  • 2. Cycloaddition route to 14-hydroxymethyl-19-norprogesterone
    James R. Bull,Karl Bischofberger J. Chem. Soc. Chem. Commun. 1989 1405
  • 3. 19-Nor and aromatic steroids. Part II. Cleavage of 3-oxygenated 4β,19-ethers in the pregnane series leading to 19-norprogesterone
    Ruth E. Gall ( Née Lack),Jacques E. Nemorin,Leonard Tarasoff J. Chem. Soc. Perkin Trans. 1 1974 881
  • 4. 14-Methyl steroids. Part 5. Structural features influencing stereoselectivity of 14-methylation of 15-oxo-19-norsteroids: synthesis of 14α-methyl-19-norprogesterone
    Karl Bischofberger,James R. Bull,Jan Floor J. Chem. Soc. Perkin Trans. 1 1987 1377
  • 5. Cycloaddition of phenyl vinyl sulphone to 3-methoxy-16-methylestra-1,3,5(10),14,16-pentaen-17-yl acetate: synthesis of 14-functional ised 19-norpregnane derivatives
    James R. Bull,Karl Bischofberger J. Chem. Soc. Perkin Trans. 1 1991 2859
  • 6. Synthesis and pre-clinical evaluation of a [18F]fluoromethyl-tanaproget derivative for imaging of progesterone receptor expression
    Shairoz Merchant,Louis Allott,Laurence Carroll,Vickram Tittrea,Steven Kealey,Timothy H. Witney,Philip W. Miller,Graham Smith,Eric O. Aboagye RSC Adv. 2016 6 57569
  • 7. Synthesis and pre-clinical evaluation of a [18F]fluoromethyl-tanaproget derivative for imaging of progesterone receptor expression
    Shairoz Merchant,Louis Allott,Laurence Carroll,Vickram Tittrea,Steven Kealey,Timothy H. Witney,Philip W. Miller,Graham Smith,Eric O. Aboagye RSC Adv. 2016 6 57569
  • 8. Index of subjects, 1974
    J. Chem. Soc. Perkin Trans. 1 1974 2751
  • 9. Conformational effects in 20-oxosteroids
    Mordecai B. Rubin,Erich C. Blossey,Albert P. Brown,James E. Vaux J. Chem. Soc. C 1970 57
  • 10. Index pages
    J. Chem. Soc. Perkin Trans. 1 1987 A003
专业数据库参考
PubChemId 9820838
化合物详情(旧版)

SMILES

O=C1C=C2[C@H](CC1)C3[C@@H](CC2)[C@H]4[C@@](C[C@@H]3C)(C)[C@](C(C)=O)(OC(C)=O)CC4

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