estradiol 3-acetate

Description

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

Identification

CAS Registry Number	4245-41-4
PubChem CID	9818306
Molecular formula	C20H26O3
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 Weight	314.4
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	314.18819469
Monoisotopic Mass	314.18819469
Topological Polar Surface Area	46.5
Heavy Atom Count	23
Formal Charge	0

Physical & Chemical Properties

Collision Cross Section	185.16 Ų [M-H]-

GHS Hazard Classification

Reported hazard statements	H351 (96.2%), H360 (100%), H362 (96.2%)

Documented Uses

• 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.
• Exercise caution with St. John's Wort. This herb induces the CYP3A4 metabolism of estradiol acetate. Therefore it may reduce the serum concentration and effectiveness of estradiol acetate.
• Estrogen Receptor Agonists [MoA]; Estrogen [EPC]; Estradiol Congeners [CS]
• Estradiol, estrone and estriol are excreted in the urine along with glucuronide and sulfate conjugates.
• 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.

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of estradiol 3-acetate?

CAS 4245-41-4; molecular formula C20H26O3; molecular weight — g/mol.

What other names is estradiol 3-acetate known by?

Estradiol acetate, 4245-41-4, Femring, Femtrace, Estradiol 3-acetate, Estradiol-3-acetate.

Is estradiol 3-acetate classified as hazardous?

Hazard statements reported: H351, H360, H362.

What are the key physical properties of estradiol 3-acetate?

Collision Cross Section: 185.16 Ų [M-H]-.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.