(8S,9R,10S,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-1,2,8,9,10,11,12,13,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-3-One (8S,9R,10S,13S,14S,17S)-17-乙酰基-10,13-二甲基-1,2,8,9,10,11,12,13,14,15,16,17-十二氢-3H-环戊二烯并[a]菲-3-酮

CAS 152-62-5 MFCD00867864

化学结构图

152-62-5
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C

化学属性

Mol. FormulaC21H28O2
Mol. Weight312
Melting Point168-173 ºC
SolubilityDMSO 63 mg/mL Water <1 mg/mL Ethanol 63 mg/mL

别名和识别编码

Chemical Name(8S,9R,10S,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-1,2,8,9,10,11,12,13,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-3-One
Synonym Duvaron 20-dione,(9beta,10alpha)-pregna-6-diene-3 6-dehydro-retro-progesterone Diphaston Terolut 6-dehydro-retroprogesteron dydrogesterone 10α-pregna-4,6-diene-3,20-dione Duphaston Pregna-4,6-diene-3,20-dione, (9β,10α)- 9β,10α-Pregna-4,6-diene-3,20-dione 去氢逆孕酮 6-dehydro-9beta,10alpha-progesterone Prodel Isopregnenone Hydrogestrone delta(sup6)-retroprogesterone Pregna-4,6-diene-3,20-dione, (9-beta,10-alpha)- retrone Gynorest 去氢孕酮 脱氢孕酮 Dufaston 10alpha-isopregnenone gestatron delta(6)-retroprogesterone DYDROGESTERONE duphaston 去氢孕酮;脱氢孕酮 duvaron Retrone 6-去氢逆孕酮 diphaston dyhdrogesterone (9beta,10alpha)-pregna-4,6-diene-3,20-dione 20-dione,(9-beta,10-alpha)-pregna-6-diene-3 Gestatron 17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 10α -pregna-4,6-diene-3,20-dione 6-dehydroretroprogesterone (9beta,10alpha)-Pregna-4,6-diene-3,20-dione; 17-Acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Dydrogesterone delta(sup 6)-Retroprogesterone (9β,10α)-pregna-4,6-diene-3,20-dione Retro-6-dehydroprogesterone dufaston 6-Dehydro-retro-progesterone
CAS Number152-62-5
EC Number205-806-8
MDL NumberMFCD00867864
Chemical Name Translation(8S,9R,10S,13S,14S,17S)-17-乙酰基-10,13-二甲基-1,2,8,9,10,11,12,13,14,15,16,17-十二氢-3H-环戊二烯并[a]菲-3-酮
Wiswesser Line NotationL E5 B666 OV KU MUTJ A1 E1 FV1
LabNetwork Molecule IDLN01288782
PubChem Substance ID9051
InChIInChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ketone; 1fragment

产品应用

  • A steroidal progestin

相关文献及参考

  • Short: III/10b Title: Structure Data of Organic Crystals: C 16 ... C 168 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10b Year: 1985 ISBN: 3-540-13932-X ISBN: 978-3-540-13932-4 Internet Resource: DOI:10.1007/b19985 RefComment: XIX,652 pages. Hardcover
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Storage condition 储存温度-20°C 储存温度 2-8°C
RTECSTU3671000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >7200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,324,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >4600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,324,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 70 mg/kg
SEX/DURATION            : female 14 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   CCPTAY Contraception.  (Geron-X, Inc., POB 11

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 40 mg/kg
SEX/DURATION            : female 10 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 2400 ug/kg
SEX/DURATION            : female 3 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - mating performance (e.g. # sperm positive females
   per # females mated; # copulations per # estrus cycles)
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 37,269,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 40 mg/kg
SEX/DURATION            : female 10 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 :
   FESTAS Fertility and Sterility.  (American Fertility Soc., 608 13th Ave. S,
   Birmingham, AL 35282) V.1-    1950-  Volume(issue)/page/year: 23,196,1972

其他信息

  • MOL 文件:152-62-5.mol
  • MSDS 信息:17-Acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one(152-62-5).msds
  • Sigma Aldrich:152-62-5(sigmaaldrich)
  • Dydrogesterone是一种口服有效的孕激素，直接作用于子宫，在雌激素预处理的子宫内产生完整的分泌期子宫内膜。

系列性分类

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