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Drug

D0913 | estradiol acetate

Molecular Formula C20H26O3
Molecular Weight 314.4
Structure
Volume of distribution The distribution of exogenous estrogens is similar to that of endogenous estrogens. Estrogens are widely distributed in the body and are generally found in higher concentrations in the sex hormone target organs [FDA Label].
Route of elimination Estradiol, estrone and estriol are excreted in the urine along with glucuronide and sulfate conjugates.
Protein binding Estrogens circulate in the blood largely (>95%) bound to sex hormone binding globulin (SHBG) and to albumin [FDA Label].
Absorption Drug delivery from Femring is rapid for the first hour and then declines to a relatively constant rate for the remainder of the 3-month dosing interval. Estradiol acetate is rapidly hydrolyzed to estradiol which is absorbed through the vaginal mucosa as evidenced by the mean time to maximum concentration (tmax) for estradiol of about 1 hour (range 0.25 to 1.5 hrs). Following the maximum concentration (Cmax=1129pg/mL), serum estradiol decreases rapidly such that by 24 to 48 hours postdose, serum estradiol concentrations are relatively constant through the end of the 3-month dosing interval [FDA Label].

Toxicity Dose Time Species Model Method Action Positive criterion Reference
MEMBRANE POTENTIAL 9.08±0.59 human qHTS-HepG2 MMP assay decrease IC50 163
MEMBRANE POTENTIAL 17.34 human HepG2 MMP assay decrease IC50 163
MEMBRANE POTENTIAL rat hepatocytes MMP assay Negative IC50 163
MEMBRANE POTENTIAL > 200 µM 30 mins mouse liver mitochondria Rh123 fluorescence (excitation 485 nm, emission 535 nm) are recorded using a fluorescence multi-well plate reader (mCICCP (20 µM) treatments was considered as the 100% baseline for ΔΨm loss) decrease EC20 36
RESPIRATION > 200 µM 60 mins mouse liver mitochondria Oxygen consumption was monitored with 50nM MitoXpress ( an oxygen-sensitive phosphorescent dye) using a spectrofluorimeter (Tecan Infinite 200; λExcitation 380nm; λEmission 650nm). Rotenone (2µM) was used as 100% baseline for complex I inhibition. decrease EC20 36
RESPIRATION > 200 µM 60 mins mouse liver mitochondria Oxygen consumption was monitored with 50nM MitoXpress ( an oxygen-sensitive phosphorescent dye) using a spectrofluorimeter (Tecan Infinite 200; λExcitation 380nm; λEmission 650nm). Oligomycin A (1µM) was used as 100% baseline for complex II inhibition. decrease EC20 36
SWELLING ND 30 mins mouse liver mitochondria swelling assay: Absorbance at 545 nm using a fluorescence multi-well plate reader (CaCl2 (50 µM) was considered as the 100% baseline for the swelling ) Negative EC20 36

Target Dose Time Species Model Method Action Positive criterion Reference
NADH:ubiquinone reductase > 200 µM 60 mins mouse liver mitochondria Oxygen consumption was monitored with 50nM MitoXpress ( an oxygen-sensitive phosphorescent dye) using a spectrofluorimeter (Tecan Infinite 200; λExcitation 380nm; λEmission 650nm). Rotenone (2µM) was used as 100% baseline for complex I inhibition. inhibit EC20 36
Succinate dehydrogenase > 200 µM 60 mins mouse liver mitochondria Oxygen consumption was monitored with 50nM MitoXpress ( an oxygen-sensitive phosphorescent dye) using a spectrofluorimeter (Tecan Infinite 200; λExcitation 380nm; λEmission 650nm). Oligomycin A (1µM) was used as 100% baseline for complex II inhibition. inhibit EC20 36
Cytochrome c > 200 µM 30 mins mouse liver mitochondria Cytochrome c release was evaluated using ELISA kit ( 20 µg/ml Alamethicin was used as 100% baseline) release EC20 36

Pictogram Signal Statements Precautionary Statement Codes
Danger

Aggregated GHS information provided by 26 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.


H351 (96.15%): Suspected of causing cancer [Warning Carcinogenicity]


H360 (96.15%): May damage fertility or the unborn child [Danger Reproductive toxicity]


H362 (96.15%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]


Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.


 P201, P202, P260, P263, P264, P270, P281, P308+P313, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)


  • 17-beta-Estradiol-acetate 17beta-Estradiol 3-acetate 17beta-Hydroxy-3-acetoxyestra-1,3,5(10)-triene
    17beta-Hydroxyestra-1,3,5(10)-trien-3-yl acetate 3-(Acetyloxy)estra-1,3,5(10)-trien-17.beta.-ol 3-Acetoxy-oestra-1,3,5(10)-trien-17beta-ol
    3-Acetoxyestra-1,3,5(10)-trien-17beta-ol 3-O-Acetylestradiol 4245-41-4
    5R97F5H93P CAS-4245-41-4 CHEBI:135981
    CHEMBL1200430 D04061 DB13952
    DSSTox_CID_25867 DSSTox_GSID_45867 DSSTox_RID_81186
    DTXSID7045867 E 3A E3A
    Estra-1,3,5(10)-triene-3,17-diol, (17 beta)-, 3-acetate; Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, 3-acetate Estra-1,3,5(10)-triene-3,17beta-diyl 3-acetate
    Estradiol 3-acetate Estradiol acetate Estradiol acetate (USAN)
    Estradiol acetate [USAN] Estradiol, 3-acetate Estradiol-3-acetate
    FHXBMXJMKMWVRG-SLHNCBLASA-N Femring Femring (TN)
    Femtrace Menoring NCGC00249885-01
    Q27262772 SCHEMBL148561 Tox21_111359
    Tox21_113661 UNII-5R97F5H93P beta-Estradiol 3-acetate

    DrugBank Name estradiol acetate
    DrugBank DB13952
    CAS Number 4245-41-4
    PubChem Compound 9818306
    KEGG Drug D04061
    ChEBI 135981