Coumestrol -

CAS 479-13-0 MFCD00016885

化学结构图

479-13-0
SMILES: O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12

化学属性

Mol. FormulaC₁₅H₈O₅
Mol. Weight268.22
Melting Point>300°C
SolubilityDMSO: soluble
Boiling Point
Flash Point-

别名和识别编码

Chemical NameCoumestrol
CAS Number479-13-0
Synonym 2-(2 4-DIHYDROXYPHENYL)-6-HYDROXY-3-BENZOFURANCARBOXYLIC ACID D-LACTONE 2-(2 4-DIHYDROXYPHENYL)-6-HYDROXY-3-BENZOFURANCARBOXYLIC ACID D-LACTONE 98% 2-(2,4-DIHYDROXYPHENYL)-6-HYDROXY-3-BENZOFURANCARBOXYLIC ACID DELTA-LACTONE 2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic Acid ?-Lactone 2-(2,4-dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylicacidelta-lacton 2-c)(1)benzopyran-6-one,3,9-dihydroxy-6h-benzofuro( 2-c][1]benzopyran-6-one,3,9-dihydroxy-6h-benzofuro[ 3,9-DIHYDROXY-6H-BENZOFURO[3,2-C]-[1]BENZOPYRAN-6-ONE 3,9-Dihydroxy-6H-benzofuro[3,2-c]-[1]benzopyran-6-one 7 12-DIHYDROXYCOUMESTAN 98% 7,12-DIHYDROXYCOUMESTANE 7,12-Dihydroxycoumestan Coumesterol Coumestrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL Number-
PubChem Substance ID5281707
Beilstein Registry Number266702
EC Number207-525-6
Chemical Name Translation-
Wiswesser Line NotationT D6 B566 CO KVOJ FQ OQ
LabNetwork Molecule IDLN00195603
InChIInChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
Canonical SMILES-
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分类

  • {SNA} Bioactive Small Molecules, CI-CY, 细胞生物学
  • Aromatics
  • {SNA} Bioactive Small Molecules, CI-CY, Cell Biology

产品应用

  • This compound has estrogenic activity. It exhibits bright blue fluorescence in neutral or acid solution, and greenish-yellow fluorescence in strong alkali solution.

相关文献及参考

  • Wolfbeis, O.S. & K. Schaffner: Photochem. Photobiol., 32, 143(1980),

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSDF8077000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Hazard Codes Xn
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 10 umol/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   35,605,1997

TYPE OF TEST            : Micronucleus test
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 25 umol/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   35,605,1997

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 25 umol/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   35,605,1997

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   48,14,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2500 ug/kg
SEX/DURATION            : lactating female 1-5 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
   Reproductive - Maternal Effects - other effects
   Endocrine - estrogenic
REFERENCE :
   TOXID9 Toxicologist.  (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway,
   Akron, OH 44311) V.1-    1981-  Volume(issue)/page/year: 12,432,1992

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 234 mg/kg
SEX/DURATION            : female 1-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 39,432,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 35 gm/kg
SEX/DURATION            : female 14 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - menstrual cycle changes or disorders
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
   Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 167,237,1981

Storage condition 4 4°C

其他信息

  • MOL 文件:479-13-0.mol
  • F:10
  • Sigma Aldrich:479-13-0(sigmaaldrich)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. CI-CY - Bioactive Small Molecules

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