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19890-63-2 | Androst-4-ene-3,17-dione, 19-fluoro-
CAS No: 19890-63-2 Catalog No: AG002BSR MDL No:
Product Description
Catalog Number:
AG002BSR
Chemical Name:
Androst-4-ene-3,17-dione, 19-fluoro-
CAS Number:
19890-63-2
Molecular Formula:
C19H25FO2
Molecular Weight:
304.3990
IUPAC Name:
(8S,9S,10S,13S,14S)-10-(fluoromethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
InChI:
InChI=1S/C19H25FO2/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
InChI Key:
AOJSNVYXFKSKGH-BGJMDTOESA-N
SMILES:
FC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
304.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.405g/mol
Monoisotopic Mass:
304.184g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of novel 4-amino-4,6-androstadiene-3,17-dione: an analog of formestane. | Bioorganic & medicinal chemistry letters 20081015 |
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