3-Hydroxy Benzopyrene

CAS 13345-21-6 MFCD00215971

化学结构图

13345-21-6
SMILES: OC1=CC=C2C=CC3C4C2=C1C=CC=4C=C1C=CC=CC1=3

化学属性

Mol. FormulaC20H12O
Mol. Weight268.32

别名和识别编码

Chemical NameBenzo(a)pyren-3-ol
CAS Number13345-21-6
Synonym Benzo[a]pyren-3-ol 3-Hydroxybenzo(a)pyrene 8-Hydroxy-3,4-benzpyrene BP-3-Hydroxy Benzo(a)pyrene, 3-hydroxy-
Beilstein Registry Number2333868
MDL NumberMFCD00215971
Wiswesser Line NotationL D6 B6666 2AB TJ OQ
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分类

  • Aromatics
  • Metabolites & Impurities
  • Mutagenesis Research Chemicals

产品应用

  • A metabolite of Benzopyrene (BaP), a carcinogenic component of tobacco smoke implicated in lung cancer.

相关文献及参考

  • DiBiasio, K., et al.: Drug Metab. Dispos.,19, 227 (1991),
  • Beach, J., et al.: J. Anal. Toxicol., 24, 670 (2000),

安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 160 mg/kg/21W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Blood - leukemia
   Blood - lymphoma, including Hodgkin's disease
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   6,400,1952

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4280 ug/kg
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CCSUDL Carcinogenesis--A Comprehensive Survey.  (Raven Press, 1185 Ave. of
   the Americas, New York, NY 10036)  V.1-    1976-  Volume(issue)/page/year:
   3,371,1978

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 117 ug/kg
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   38,678,1978

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4300 ug/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue

RTECSDJ8225000
TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 30 umol/L
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   20,311,1978

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 30 ug/L/7D (Continuous)
REFERENCE :
   IJCNAW International Journal of Cancer.  (International Union Against
   Cancer, 3 rue du Conseil- General, 1205 Geneva, Switzerland)

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 5 ug/plate
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 10 mg/L/48H (Continuous)
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: 9,435,1972

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 250 mg/L
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,873,1979

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Fibroblast
DOSE/DURATION           : 30 umol/L
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   41,155,1982

系列性分类


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