17beta-Estradiol-16,16,17-d3

Base Information

• Chemical Name: 17beta-Estradiol-16,16,17-d3
• CAS No.: 79037-37-9
• Molecular Formula: C18H21 D3 O2
• Molecular Weight: 275.4
• European Community (EC) Number: 693-113-5
• DSSTox Substance ID: DTXSID30584000
• Nikkaji Number: J1.972.772F
• Wikidata: Q72471119
• Mol file: 79037-37-9.mol

Synonyms:79037-37-9;17beta-Estradiol-16,16,17-d3;Estradiol-d3;17-Estradiol-16,16,17-d3;(8R,9S,13S,14S,17S)-16,16,17-trideuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol;17?-Estradiol-16,16,17-d3;17alpha-Estradiol-16,16,17-d3;Estra-1,3,5(10)-triene-16,16,17-d3-3,17-diol, (17?)-;(17?)-Estra-1,3,5(10)-triene-16,16,17-d3-3,17-diol;17?-Estradiol-16,16,17-D3;?-Estradiol - d3;17-beta-Estradiol D3 (16,16,17-D3);(17beta)-Estra-1,3,5(10)-triene-3,17-diol-d3;SCHEMBL6669264;HY-B0141S;DTXSID30584000;17b-Estradiol-16,16,17-d3;Estradiol-[16,16,17-2H3];AKOS015913117;17 alpha -Estradiol-16,16,17-d3;17 beta -Estradiol-16,16,17-d3;MS-23915;PD080045;CS-0033088;F90852;17beta-Estradiol-16,16,17-d3, 98 atom % D, 99% (CP);17-beta-Estradiol D3 (16,16,17-D3) 100 microg/mL in Acetonitrile;(1S,3aS,3bR,9bS,11aS)-11a-methyl(1,2,2-?H?)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

Chemical Property of 17beta-Estradiol-16,16,17-d3

Chemical Property:

• Melting Point: 178-179 °C(lit.)
• Refractive Index: 1.599
• Flash Point: 76℃
• PSA: 40.46000
• LogP: 3.60920
• Storage Temp.: -20°C Freezer
• Solubility.: Dioxane (Slightly), Methanol (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 275.196460242
• Heavy Atom Count: 20
• Complexity: 382

Purity/Quality:

99%, ^*data from raw suppliers

17α-Estradiol-16,16,17-d3 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 60-61-50-63-46-45
• Safety Statements: 53-22-36/37/39-45-61-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
• Isomeric SMILES: [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C3C=CC(=C4)O)C)O
• Uses: 17BETA-ESTRADIOL-16,16,17-D3 is a biologically active estrogen in human breast cancer cells in tissue culture. 17BETA-ESTRADIOL-16,16,17-D3 is not part of a classical hormone/receptor endocrine system but of a system with important autocrine/paracrine functions in the developing and adult brain. 17BETA-ESTRADIOL-16,16,17-D3 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. Labelled Estradiol. 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. Potent mammalian estrogenic hormone produced by the ovary.