Benz(a)anthracene-7-methanol, 12-methyl-, acetate

CAS 2517-98-8 MFCD01668137

化学结构图

2517-98-8
SMILES: CC(=O)OCc1c2ccccc2c(C)c2c1ccc1ccccc12

化学属性

Mol. FormulaC22H18O2
Mol. Weight314.40

别名和识别编码

Chemical NameBenz(a)anthracene-7-methanol, 12-methyl-, acetate
Wiswesser Line NotationL D6 B666J C1 J1OV1
Synonym 12-Methylbenz(a)anthracene-7-methanol acetate (ester) 7-Acetoxymethyl-12-methylbenz(a)anthracene
Beilstein Registry Number2001589
CAS Number2517-98-8
InChIKeyQZBZIXDRHVAJSX-UHFFFAOYSA-N
PubChem Substance ID75647
InChIInChI=1S/C22H18O2/c1-14-17-8-5-6-10-19(17)21(13-24-15(2)23)20-12-11-16-7-3-4-9-18(16)22(14)20/h3-12H,13H2,1-2H3
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安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 mg/kg/39D-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   31,1951,1971

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 mg/kg/6W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   IJCNAW International Journal of Cancer.  (International Union Against
   Cancer, 3 rue du Conseil- General, 1205 Geneva, Switzerland)  V.1-    1966-
   Volume(issue)/page/year: 2,500,1967

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 10,932,1967

RTECSCW9100000 
TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Mammal - species unspecified Lymphocyte
DOSE/DURATION           : 50 gm/L
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 22,345,1978

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 4 nmol/plate
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   58,253,1986

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