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Supelco

β-Estradiol hemihydrate

VETRANAL®, analytical standard

Sinônimo(s):

1,3,5-Estratriene-3,17β-diol, 3,17β-Dihydroxy-1,3,5(10)-estratriene

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About This Item

Fórmula empírica (Notação de Hill):
C18H24O2 · 0.5H2O
Número CAS:
35380-71-3
Peso molecular:
281.39
Beilstein:
1914275
Número CE:
200-023-8
Número MDL:
MFCD23102821
Código UNSPSC:
41116107
ID de substância PubChem:
329753907

grau

analytical standard

linha de produto

VETRANAL®

prazo de validade

limited shelf life, expiry date on the label

técnica(s)

HPLC: suitable
gas chromatography (GC): suitable

aplicação(ões)

clinical testing

Formato

neat

cadeia de caracteres SMILES

O.C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O.C[C@]56CC[C@H]7[C@@H](CCc8cc(O)ccc78)[C@@H]5CC[C@@H]6O

InChI

1S/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h2*3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t2*14-,15-,16+,17+,18+;/m11./s1

chave InChI

ZVVGLAMWAQMPDR-WVEWYJOQSA-N

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Aplicação

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Informações legais

VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictogramas

Health hazardEnvironment
GHS08,GHS09

Palavra indicadora

Danger

Frases de perigo

H351,H360FD,H362,H410

Classificações de perigo

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2 - Lact. - Repr. 1A

Código de classe de armazenamento

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°C)

Not applicable

Equipamento de proteção individual

Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

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Certificados de análise (COA)

Lot/Batch Number

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Artem Cherkasov et al.
Journal of medicinal chemistry, 49(25), 7466-7478 (2006-12-08)
A combination of protein-ligand docking and ligand-based QSAR approaches has been elaborated, aiming to speed-up the process of virtual screening. In particular, this approach utilizes docking scores generated for already processed compounds to build predictive QSAR models that, in turn
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Endocrinology, 155(5), 1944-1955 (2014-03-13)
Gonadotropin-inhibitory hormone (GnIH) neurons project to GnRH neurons to negatively regulate reproductive function. To fully explore the projections of the GnIH neurons, we created transgenic rats carrying an enhanced green fluorescent protein (EGFP) tagged to the GnIH promoter. With these
James S Wright et al.
Journal of medicinal chemistry, 54(2), 433-448 (2010-12-31)
Long-term use of estrogen supplements by women leads to an increased risk of breast and uterine cancers. Possible mechanisms include metabolism of estradiol and compounds related to tumor-initiating quinones, and ligand-induced activation of the estrogen receptors ERα and ERβ which
Steffen Renner et al.
Nature chemical biology, 5(8), 585-592 (2009-06-30)
The structure- and chemistry-based hierarchical organization of library scaffolds in tree-like arrangements provides a valid, intuitive means to map and navigate chemical space. We demonstrate that scaffold trees built using bioactivity as the key selection criterion for structural simplification during
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