Coumestrol
Names
[ CAS No. ]:
479-13-0
[ Name ]:
Coumestrol
[Synonym ]:
3,9-Dihydroxycoumestan
EINECS 207-525-6
Cumoesterol
Cumoestrol
MFCD00016885
7',6-Dihydroxycoumarino(3',4',3,2)coumarone
3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
Coumestrol
Cumostrol
3,9-Dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
7,12-Dihydroxycoumestan
coumesterol
3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-
2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic Acid d-Lactone
Biological Activity
[Description]:
[Related Catalog]:
[Target]
IC50: 50 μM[1]
[In Vitro]
[Cell Assay]
[References]
[Related Small Molecules]
Chemical & Physical Properties
[ Density]:
1.6±0.1 g/cm3
[ Boiling Point ]:
406.0±24.0 °C at 760 mmHg
[ Melting Point ]:
≥350ºC(lit.)
[ Molecular Formula ]:
C15H8O5
[ Molecular Weight ]:
268.221
[ Flash Point ]:
199.3±22.9 °C
[ Exact Mass ]:
268.037170
[ PSA ]:
83.81000
[ LogP ]:
2.94
[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C
[ Index of Refraction ]:
1.768
[ Storage condition ]:
Refrigerator
[ Water Solubility ]:
DMSO: soluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DF8077000
- CHEMICAL NAME :
- 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-
- CAS REGISTRY NUMBER :
- 479-13-0
- BEILSTEIN REFERENCE NO. :
- 0266702
- LAST UPDATED :
- 199801
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C15-H8-O5
- MOLECULAR WEIGHT :
- 268.23
- WISWESSER LINE NOTATION :
- T D6 B566 CO KVOJ FQ OQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- 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
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 234 mg/kg
- SEX/DURATION :
- female 1-13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - other measures of fertility
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- 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
- TYPE OF TEST :
- Unscheduled DNA synthesis
MUTATION DATA
- 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
Safety Information
[ Hazard Codes ]:
Xn: Harmful;
[ Risk Phrases ]:
R22
[ Safety Phrases ]:
26-36
[ WGK Germany ]:
3
[ RTECS ]:
DF8077000