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116057-68-2 | 4-iodotamoxifen
CAS No: 116057-68-2 Catalog No: AG009QL1 MDL No:
Product Description
Catalog Number:
AG009QL1
Chemical Name:
4-iodotamoxifen
CAS Number:
116057-68-2
IUPAC Name:
2-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
InChI:
InChI=1S/C26H28INO/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(27)15-11-21)22-12-16-24(17-13-22)29-19-18-28(2)3/h5-17H,4,18-19H2,1-3H3/b26-25+
InChI Key:
BSZGETWFQDIDDX-OCEACIFDSA-N
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
497.122g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.42g/mol
Monoisotopic Mass:
497.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships for triphenylethylene antiestrogens on hepatic phase-I and phase-II enzyme expression. | Biochemical pharmacology 19980801 |
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