19-Nor-17-alpha-pregn-5(10)-en-20-yne-3-beta,17-diol

CAS 2307-97-3 MFCD01711312

化学结构图

2307-97-3
SMILES: C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CC[C@H](O)C4)[C@H]3CC[C@@]21C

化学属性

Mol. FormulaC20H28O2
Mol. Weight300.48

别名和识别编码

Chemical Name19-Nor-17-alpha-pregn-5(10)-en-20-yne-3-beta,17-diol
InChIKeyXSQAQKNJHGGMRV-CHZZJNJQSA-N
Wiswesser Line NotationL E5 B666 OV AU- MTJ E1 FQ F1UU1 FQ
Synonym 3-beta-Hydroxynorethynodrel 17-alpha-Ethynyl-estr-5(10)-ene-3-beta,17-beta-diol 19-Norpregn-5(10)-en-20-yne-3,17-diol, (3-beta,17-alpha)-
CAS Number2307-97-3
PubChem Substance ID134503
InChIInChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16+,17+,18-,19-,20-/m0/s1
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安全信息

RTECSRC8961600 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 450 ug/kg
SEX/DURATION            : female 11-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 3,339,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 450 ug/kg
SEX/DURATION            : female 8-10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 3,339,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 1800 ug/kg
SEX/DURATION            : female 8-10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 3,339,1970

系列性分类

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