Methylcholanthrene-11,12-epoxide

CAS 3416-21-5 MFCD03416215

化学结构图

3416-21-5
SMILES: CC1Cc2cccc3cc4c(c5c(c6ccccc64)O5)c1c23

化学属性

Mol. Weight284.37
Mol. FormulaC21H16O

别名和识别编码

Chemical NameMethylcholanthrene-11,12-epoxide
Synonym 3-Methylcholanthrene-11,12-epoxide 11,12-Epoxy-11,12-dihydro-3-methylcholanthrene 11,12-Epoxy-3-methylcholanthrene 3-Methylcholanthrene 11,12-oxide Benz(7,8)aceanthryleno(9,10-b)oxirene, 1a,10,11,11c-tetrahydro-9-methyl- 11,12-Dihydro-11,12-epoxy-3-methylcholanthrene
Wiswesser Line NotationT D3 G6 C6665 1A U EOT&T&&TJ R1
CAS Number3416-21-5
Chemicalbook IDCB61328228
PubChem Substance ID105086
InChIInChI=1S/C21H16O/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)20-21(22-20)19(17)16-9-8-13(11)18(12)16/h2-7,10,20-21H,8-9H2,1H3
InChIKeyLFYCWMXAEDCADG-UHFFFAOYSA-N
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安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 40 mg/kg/6W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic 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: 2,505,1967

RTECSFZ2975000 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 nmol/plate
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   38,3398,1978

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   33,2354,1973

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 10 umol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   36,272,1976

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   33,2354,1973

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Cells - not otherwise specified
DOSE/DURATION           : 750 ug/L
REFERENCE :
   PNASA6 Proceedings of the National Academy of Sciences of the United States
   of America.  (National Academy of Sciences, Printing & Pub. Office, 2101
   Constitution Ave., Washington, DC 20418) V.1-    1915-
   Volume(issue)/page/year: 68,1098,1971

系列性分类

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