3-Hydroxyestra-1,3,5,7,9-pentaen-17-one benzoate 雌馬性素酮苯甲酸酯

CAS 604-58-0 MFCD N/A

化学结构图

604-58-0
SMILES: C[C@]12CCc3c(ccc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CCC2=O

化学属性

Mol. FormulaC18H17OO2CC6H5
Mol. Weight370.47

别名和识别编码

Wiswesser Line NotationL E5 B666 FVTT&&J E1 DOVR
Chemical NameEquilenin, benzoate
Synonym 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one benzoate
CAS Number604-58-0
Beilstein Registry Number3223339
Chemical Name Translation雌馬性素酮苯甲酸酯
Chemicalbook IDCB31269227
InChIKeyVVFAWJYXSMMTEE-DHLKQENFSA-N
PubChem Substance ID200150
InChIInChI=1S/C25H22O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-10,15,22H,11-14H2,1H3/t22-,25-/m0/s1
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安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 86 mg/kg/43W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 122,183,1936

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 mg/kg/30W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   YJBMAU Yale Journal of Biology and Medicine.  (333 Cedar St., New Haven, CT
   06510)  V.1-    1928-  Volume(issue)/page/year: 12,213,1939

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 162 mg/kg/81W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   56,482,1949

RTECSKD7175000
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P203
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P308+P313
  • P318
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

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