6beta-Hydroperoxycholest-4-en-3-one

CAS 2207-76-3 MFCD N/A

化学结构图

2207-76-3
SMILES: CC(C)CCCC(C)C1CCC2C3CC(OO)C4=CC(=O)CCC4(C)C3CCC12C

化学属性

Mol. Weight416.71
Mol. FormulaC27H44O3

别名和识别编码

Wiswesser Line NotationL E5 B666 OV MUTJ A1 E1 FY1&3Y1&1 LOQ
Chemical Name6β-Hydroperoxycholest-4-en-3-one
Synonym 6-beta-Hydroperoxycholest-4-en-3-one 6-Hydroperoxy-4-cholesten-3-one 6-beta-Hydroperoxy-delta(sup 4)-cholesten-3-one
CAS Number2207-76-3
Chemicalbook IDCB72271106
PubChem Substance ID102224
InChIInChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(30-29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,25-,26-,27-/m1/s1
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安全信息

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg/W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   JCSOA9 Journal of the Chemical Society.  (London, UK)  1926-65.  For
   publisher information, see JCPRB4.  Volume(issue)/page/year: 77,3928,1955

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 750 mg/kg/9W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   19,977,1957

RTECSFZ8100000

系列性分类

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