4-Hydroxy Ethynyl Estradiol
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- structure.search.product.name 4-Hydroxy Ethynyl Estradiol
- Product Code: TRC-H941965-1MG
- CAS Number: 50394-90-6
- Brand: TRC
Product Overview
Product Code
TRC-H941965-1MG
CAS Number
Product Format
Neat
Molecular Formula
C20 H24 O3
Molecular Weight
312.40
API Family
EthynylestradiolProduct Categories
TRC, Impurity Reference Materials , API Reference Standards & Research Materials
Documentation
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Product Information
Chemical Data
Analyte Name
4-Hydroxy Ethynyl Estradiol
CAS Number
50394-90-6
Molecular Formula
C20 H24 O3
Molecular Weight
312.40
Accurate Mass
312.1725
SMILES
C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
InChI
InChI=1S/C20H24O3/c1-3-20(23)11-9-16-14-4-5-15-12(6-7-17(21)18(15)22)13(14)8-10-19(16,20)2/h1,6-7,13-14,16,21-23H,4-5,8-11H2,2H3/t13-,14-,16+,19+,20+/m1/s1
IUPAC
(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,4,17-triol
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; API; Synthesis tool
Product Format
Neat
API Family
Product Description
A metabolite of 17a-Ethynylestradiol.
References: Buchthal, J., et al.: Eur. J. Clin. Pharmacol., 47, 431 (1995), Krausz, K., et al.: Drug Metab. Dispos., 29, 1410 (2001), Hall, S., et al.: Clin. Pharmacol. Ther., 74, 525 (2003), Chen, Y., et al.: J. Pharmacol. Exp. Ther., 308, 495 (2004)
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