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α-Estradiol

α-Estradiol structure

CAS No:
57-91-0
Formula:
C18H24O2
Chemical Name:
α-Estradiol
Synonyms:
Estra-1,3,5(10)-triene-3,17-diol,(17α)-;17α-Estradiol;(17α)-Estra-1,3,5(10)-triene-3,17-diol;3,17-Dihydroxyestratriene;3,17α-Dihydroxyoestra-1,3,5(10)-triene;α-Estradiol;Estra-1,3,5(10)-triene-3,17α-diol;1,3,5-Estratriene-3,17α-diol;Epiestradiol;Oestra-1,3,5(10)-triene-3,17α-diol;3,17α-Dihydroxyestra-1,3,5(10)-triene;17α-Oestradiol;17-Epiestradiol;Epiestrol;13β-Methyl-1,3,5(10)-gonatriene-3,17α-diol;Alfatradiol;NSC 20293;MITO 4509;MIGENIX
Categories:
Active Pharmaceutical Ingredients > Antibiotics

Description

Alpha-Estradiol is a weak estrogen and a 5α-reductase inhibitor which is used as a topical medication in the treatment of androgenic alopecia.

Solid

17alpha-estradiol is an estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer). It has a role as a geroprotector and an estrogen. It is a 17alpha-hydroxy steroid, a 3-hydroxy steroid and an estradiol.

α-Estradiol Basic Attributes

Molecular Weight：

272.38

Exact Mass：

272.38

EC Number：

200-023-8

UNII：

3VQ38D63M7

NSC Number：

20293

DSSTox ID：

DTXSID8022377

HScode：

29372390

Characteristics

PSA：

40.5

XLogP3：

Appearance：

white with slight yellow cast powder

Density：

1.2±0.1 g/cm3

Melting Point：

221.5 °C

Boiling Point：

445.9°C at 760 mmHg

Flash Point：

209.6±23.3 °C

Refractive Index：

1.599

Water Solubility：

ethanol: 50 mg/mL, clear, colorless

Storage Conditions：

0-6°C

Specific rotation：

D20 +53 to +56° (c = 0.9 in dioxane)

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

45-48-40

safety instructions：

53-45-24/25-22

RTECS Number：

KG3750000

Marks：

T,Xn

Precautionary statement(s)：

P281

Hazard Statements：

H351

GHS Classification：

|Danger|H302 (11.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P263, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 153 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Drugs that inhibit 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE. They are commonly used to reduce the production of DIHYDROTESTOSTERONE. (See all compounds classified as 5-alpha Reductase Inhibitors.)|Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)

MeSH Entry Terms：

alfatradiol

α-Estradiol Use and Manufacturing

Uses

Estradiol (known as α-Estradiol or 17 α-Estradiol) is a biologically active estrogen in human breast cancer cells in tissue culture. 17-Εstradiol and its selective receptor, ER-X, are not part of a classical hormone/receptor endocrine system but of a system with important autocrine/paracrine functions in the developing and adult brain. 17-Estradiol may have enormous implications for hormone replacement strategies at the menopause and in the treatment of such neurodegenerative disorders as Alzheimer’s disease and ischemic stroke.

Use Classification：

Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C18 steroids (estrogens) and derivatives [ST0201]

Computed Properties

Molecular Weight:272.4
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:272.177630004
Monoisotopic Mass:272.177630004
Topological Polar Surface Area:40.5
Heavy Atom Count:20
Complexity:382
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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