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estradiol 3-acetate

CAS 4245-41-4C20H26O3MW 314.4

estradiol 3-acetate (CAS 4245-41-4) — formula C20H26O3, molecular weight 314.4; category organic chemicals.

Product Overview

CAS Number4245-41-4
Molecular FormulaC20H26O3
Molecular Weight314.4
LogP2.8
CategoryOrganic Chemicals

Technical Profile

What this product is

estradiol 3-acetate is a carbon-based organic compound with CAS registry number 4245-41-4 and molecular formula C20H26O3 (molecular weight 314.4), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 4245-41-4

Its molecular formula C20H26O3 comprises 20 C, 26 H, 3 O atoms.

Also known as: estradiol 3-acetate · 3-乙酸雌二醇

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of estradiol 3-acetate?

The CAS registry number of estradiol 3-acetate is 4245-41-4.

What is the molecular formula and molecular weight of estradiol 3-acetate?

Molecular formula C20H26O3, molecular weight 314.4.

What other names is estradiol 3-acetate known by?

It is also registered under: estradiol 3-acetate, 3-乙酸雌二醇.

Which category does estradiol 3-acetate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for estradiol 3-acetate (CAS 4245-41-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number4245-41-4
PubChem CID9818306
Molecular formulaC20H26O3
IUPAC name[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
UNII (FDA)5R97F5H93P

Computed descriptors

Molecular Weight314.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass314.18819469
Monoisotopic Mass314.18819469
Topological Polar Surface Area46.5
Heavy Atom Count23

Physicochemical values on record

Collision Cross Section185.16 Ų [M-H]-

Documented uses on record

    Femring is indicated for the treatment of vasomotor and urogenital symptoms associated with menopause. Use of Femring (estradiol acetate) has been shown to improve symptoms caused by atrophy of the vagina (such as dryness, burning, pruritus and dyspareunia) and/or the lower urinary tract (urinary urgency and dysuria).Exercise caution with grapefruit products. Grapefruit inhibits CYP3A4 metabolism, which may increase the serum concentration of estradiol acetate.

    Synonyms and trade names

    Estradiol acetate; 4245-41-4; Femring; Femtrace; Estradiol 3-acetate; Estradiol-3-acetate; Menoring; 3-O-Acetylestradiol; 17beta-Estradiol 3-acetate; Estradiol, 3-acetate; DTXSID7045867; beta-Estradiol 3-acetate; UNII-5R97F5H93P; E 3A; 5R97F5H93P; DTXCID5025867

    GHS hazard classification

    Reported hazard statementsH351 (96.2%), H360 (100%), H362 (96.2%)

    H351 (96.2%): Suspected of causing cancer [Warning Carcinogenicity]

    H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

    What the public record says

    estradiol 3-acetate · CAS 4245-41-4 · C20H26O3. UNII 5R97F5H93P. Collision Cross Section: 185.16 Ų [M-H]-.

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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