(8S,9S,10S,13S,14S,17R)-17-Ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

CAS 1238-54-6 MFCD N/A

化学结构图

1238-54-6
SMILES: C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(OO)C3CCC21C

化学属性

Mol. Weight330.46
Mol. FormulaC20H26O4

别名和识别编码

Chemical Name19-Nor-17-alpha-pregn-4-en-20-yn-3-one, 10-hydroperoxy-17-hydroxy-
Chemicalbook IDCB62278557
Wiswesser Line NotationL E5 B666 OV MUTJ AOQ E1 FQ F1UU1
Synonym Sch 10015 19-Norpregn-4-en-20-yn-3-one, 10-hydroperoxy-17-hydroxy-, (17-alpha)- 10-beta-Hydroperoxy-17-alpha-ethynyl-4-estren-17-beta-ol-3-one
Beilstein Registry Number2063727
CAS Number1238-54-6
InChIKeyUOTMWSQOLMXLKR-RPZLJYRGSA-N
PubChem Substance ID260705
InChIInChI=1S/C20H26O4/c1-3-19(22)10-8-16-15-5-4-13-12-14(21)6-11-20(13,24-23)17(15)7-9-18(16,19)2/h1,12,15-17,22-23H,4-11H2,2H3/t15-,16-,17-,18-,19-,20+/m0/s1
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安全信息

RTECSRC8974500
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 5040 ug/kg
SEX/DURATION            : female 3 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   FESTAS Fertility and Sterility.  (American Fertility Soc., 608 13th Ave. S,
   Birmingham, AL 35282) V.1-    1950-  Volume(issue)/page/year: 20,211,1969

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOS

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 225 mg/kg
SEX/DURATION            : female 45 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 3 mg/kg
SEX/DURATION            : female 1-3 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   FESTAS Fertility and Sterility.  (American Fertility Soc., 608 13th Ave. S,
   Birmingham, AL 35282) V.1-    1950-  Volume(issue)/page/year: 20,211,1969

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 1500 ug/kg
SEX/DURATION            : female 1-3 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)
REFERENCE :
   CCPTAY Contraception.  (Geron-X, Inc., POB 1108, Los Altos, CA 94022)  V.1-
   1970-  Volume(issue)/page/year: 2,85,1970

TYPE OF TEST

系列性分类


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