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Β-エストラジオール 1/2水和物

Estradiol Hemihydrate

HCID 154274
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
35380-71-3
標準SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.O
InChIKey
ZVVGLAMWAQMPDR-WVEWYJOQSA-N
分子式
C36H50O5
平均分子量
562.8 g/mol
単同位体質量
562.36582469

概要

Estradiol Hemihydrate is the hemihydrate form of estradiol, the most potent, naturally produced estrogen. Estradiol hemihydrate diffuses through the cell membrane and binds to and subsequently activates the nuclear estrogen receptor found in the reproductive tract, breast, pituitary, hypothalamus, liver, and bone. The activated complex binds to the estrogen response element on the DNA and activates the transcription of genes involved in the functioning of the female reproductive system and secondary sex characteristics.

名称と識別子

優先名称
Estradiol Hemihydrate
IUPAC
bis((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol);hydrate
現地名
Β-エストラジオール 1/2水和物
英語名
Estradiol hemihydrate
分子式
C18H24O2.H2O
分子量
290.4

名称と別名

ESTRADIOL HEMIHYDRATE35380-71-3CXY7B3Q98ZEstrasorbMYFEMBREE COMPONENT ESTRADIOL HEMIHYDRATERefChem:5513717b-Estradiolbeta-Estradiol semihydrate(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;hydrateEstrasorb (TN)beta-Estradiol hemihydrateUNII-CXY7B3Q98Z
名称をさらに表示
Β-エストラジオール 1/2水和物エストラジオール ヘミ水和物エストラジオールヘミ水和物Estradiol (1250008)Estradiol HemihydratesEESTRADIOL HEMIHYDRATEEstradiol Hemihydrate EP17β-Estradiol hemihydrateEstradiol Hemihydrate USP36BETA-OESTRADIOL VETRANAL, 250 MGEstriol EP Impurity D as HemihydateEthinylestradiol EP Impurity D as Hemihydrate
Estra-1,3,5(10)-triene-3,17beta-diol hydrate (2:1)Estradiol hemihydrate CRSSCHEMBL37532orb1744935DTXSID60858948ZVVGLAMWAQMPDR-WVEWYJOQSA-NESTRADIOL HEMIHYDRATE [MI]Estra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrate (2:1)

物性

構造計算による物性

極性表面積
81.9 Ų
水素結合供与体数
5
水素結合受容体数
5
回転可能結合数
0
重原子数
41
形式電荷
0
複雑度
382

実験および物理化学的性質

Human Drugs · 3 件

Breast Feeding; Lactation; Milk, Human; Estrogens; Hormones

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

物理化学的性質

貯蔵温度
2 · 2-8°C
外見
powder
BRN
1914275 · 1914275
主な用途
医薬品医薬品低分子化合物
InChI
InChI=1/C18H24O2.H2O/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t14,15-,16,17-,18+;/s3
InChIKey
QJNCGXGNKJUDEM-KEFFNRLXNA-N
SMILES
C12CC[C@@H](O)[C@@]1(C)CCC1C3C=CC(O)=CC=3CC[C@@]21[H].O |&1:3,5,19,r|

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H350 (21.6%): May cause cancer [Danger Carcinogenicity]

P203, P260, P263, P264, P270, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 88 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesCarc. 1B (21.6%)

毒性情報

Toxicity Summary · 1 件

Estradiol enters target cells freely (e.g., female organs, breasts, hypothalamus, pituitary) and interacts with a target cell receptor. When the estrogen receptor has bound its ligand it can enter the nucleus of the target cell, and regulate gene transcription which leads to formation of messenger RNA. The mRNA interacts with ribosomes to produce specific proteins that express the effect of estradiol upon the target cell. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary.

Signs and SymptomsCan cause nausea and vomiting, and withdrawal bleeding may occur in females.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

安全データ

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Exogenous estrogens are metabolized using the same mechanism as endogenous estrogens. Estrogens are partially metabolized by cytochrome P450. Route of Elimination: Estradiol, estrone and estriol are excreted in the urine along with glucuronide and sulfate conjugates. Half Life: 36 hours

MeSH Pharmacological Classification · 1 件

Compounds that interact with ESTROGEN RECEPTORS in target tissues to bring about the effects similar to those of ESTRADIOL. Estrogens stimulate the female reproductive organs, and the development of secondary female SEX CHARACTERISTICS. Estrogenic chemicals include natural, synthetic, steroidal, or non-steroidal compounds.

用途と製造

UsesFor the treatment of urogenital symptoms associated with post-menopausal atrophy of the vagina (such as dryness, burning, pruritus and dyspareunia) and/or the lower urinary tract (urinary urgency and dysuria).

サプライヤー85 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]

関連反応

0 件
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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
35380-71-3
PubChem CID
154274
DTXSID
DTXSID60858948
UNII
CXY7B3Q98Z
EC Number
631-198-2
wgk
3
hs_code
2937230000
risk_code
60-63-40-64
hazard_code
T
safety_code
53-36/37-45
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Carc. 2Lact.Repr. 1A
ストレージクラス
6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
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Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
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Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]