alpha,alpha'-Diethyl-alpha,alpha'-epoxybibenzyl-4,4'-diol

CAS 6052-82-0 MFCD06052820

化学结构图

6052-82-0
SMILES: CCC1(c2ccc(O)cc2)OC1(CC)c1ccc(O)cc1

化学属性

Mol. FormulaC18H20O3
Mol. Weight284.38

别名和识别编码

Chemical NameDiethylstilbestrol epoxide
Chemicalbook IDCB11306162
Wiswesser Line NotationT3OTJ B2 BR DQ& C2 CR DQ
Synonym DES 3,4-oxide DES-alpha,beta-oxide Diethylstilboestrol-3,4-oxide Diethylstilboestrol-alpha,beta-oxide alpha,alpha'-Diethyl-alpha,alpha'-epoxybibenzyl-4,4'-diol diethylstilbestrol alpha,alpha'-epoxide diethylstilbestrol epoxide diethylstilbestrol epoxide, (cis)-isomer diethylstilbestrol epoxide, (trans)-isomer
CAS Number6052-82-0
Beilstein Registry Number0030889
InChIKeyXOZFXKUFVFLGAB-UHFFFAOYSA-N
PubChem Substance ID22415
InChIInChI=1S/C18H20O3/c1-3-17(13-5-9-15(19)10-6-13)18(4-2,21-17)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3
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安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 640 mg/kg/38W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,5200,1983

RTECSDT4391200 
TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Leukocyte
DOSE/DURATION           : 300 umol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   34,3251,1985

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Fibroblast
DOSE/DURATION           : 40 nmol/L
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 281,392,1979

系列性分类

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