Pregn-4-en-3-one, 20-beta-hydroxy- (8S,9S,10R,13S,14S,17S)-17-((R)-1-羟乙基)-10,13-二甲基-6,7,8,9,10,11,12,13,14,15,16,17-十二氢-1H-环戊烷[a]菲-3(2H)-酮 （黄体酮杂质）

CAS 145-15-3 MFCD00067664

化学结构图

145-15-3
SMILES: CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

化学属性

Mol. FormulaC21H32O2
Mol. Weight316.48
Melting Point158-160 °C
Boiling Point451.7±14.0 °C at 760 mmHg

别名和识别编码

Chemical NamePregn-4-en-3-one, 20-beta-hydroxy-
Chemical Name Translation(8S,9S,10R,13S,14S,17S)-17-((R)-1-羟乙基)-10,13-二甲基-6,7,8,9,10,11,12,13,14,15,16,17-十二氢-1H-环戊烷[a]菲-3(2H)-酮 （黄体酮杂质）
Synonym (8S,9S,10R,13S,14S,17S)-17-((R)-1-Hydroxyethyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one (Progesterone Impurity) {LY} (8S,9S,10R,13S,14S,17S)-17-((R)-1-Hydroxyethyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one (Progesterone Impurity) {} {LY} (8S,9S,10R,13S,14S,17S)-17-((R)-1-Hydroxyethyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one (Progesterone Impurity) {} {} {LY} (8S,9S,10R,13S,14S,17S)-17-((R)-1-Hydroxyethyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one (Progesterone Impurity) {} {} {} {LY} (8S,9S,10R,13S,14S,17S)-17-((R)-1-Hydroxyethyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one (Progesterone Impurity) {} {} {} {} {LY} (8S,9S,10R,13S,14S,17S)-17-((R)-1-Hydroxyethyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15
CAS Number145-15-3
InChIKeyRWBRUCCWZPSBFC-SJOKZOANSA-N
PubChem Substance ID92747
InChIInChI=1S/C21H32O2/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/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
Canonical SMILESC[C@@]12[C@]3([H])[C@](CCC1=CC(CC2)=O)([H])[C@@]4([H])[C@](CC3)([C@@](CC4)([H])[C@H](O)C)C
MDL NumberMFCD00067664
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安全信息

RTECSTU5560000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 5 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   ACEDAB Acta Endocrinologica, Supplementum (Copenhagen).  (Periodica,
   Skolegade 12 E, DK-2500 Valby, Denmark)  No.1-    1948-
   Volume(issue)/page/year: 28,18,1956

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 35 mg/kg
SEX/DURATION            : female 7 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   JEMEAV Journal of Experimental Medicine.  (Rockefeller Univ. Press, 1230
   York Ave., New York, NY 10021)  V.1-    1896-  Volume(issue)/page/year:
   102,347,1955

Storage condition

系列性分类

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