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71765-94-1 | 16 alpha-iodoestradiol
CAS No: 71765-94-1 Catalog No: AG00FIML MDL No:
Product Description
Catalog Number:
AG00FIML
Chemical Name:
16 alpha-iodoestradiol
CAS Number:
71765-94-1
IUPAC Name:
(8R,9S,13S,14S,16R,17R)-16-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C18H23IO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChI Key:
SSYGGPAGDDGXAF-ZXXIGWHRSA-N
UNII:
45FQ48B1OQ
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
398.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.284g/mol
Monoisotopic Mass:
398.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Molecular determinants of ER alpha and ER beta involved in selectivity of 16 alpha-iodo-7 beta estradiol. | The Journal of steroid biochemistry and molecular biology 20040101 |
| Estrogens inhibit l-glutamate uptake activity of astrocytes via membrane estrogen receptor alpha. | Journal of neurochemistry 20030901 |
| Stimulation of human urothelial cell proliferation by estrogen receptor activation. | Urology 20010601 |
| Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta. | Endocrinology 19970301 |
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