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Formestane

CAT: 0926-FF23546-05Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FF23546-05Size:50 g
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CAS Number
566-48-3
Synonyms
4-Hydroxyandrost-4-ene-3,17-dione, 4-OHA, CGP-32349, lentaron; NSC 282175
MDL Number
MFCD00057814
Smiles
C[C@]12CCC (=O) C (=C1CC[C@@H]3[C@@H]2CC[C@]4 ([C@H]3CCC4=O) C) O
Molecular Formula
C19H26O3
Molecular Weight
302.41 g/mol
Controlled
Yes

Chemical Information

Formestane

Formestane is a 17-oxo steroid that is androst-4-ene-3,17-dione in which the hydrogen at position 4 is replaced by a hydroxy group. Formestane was the first selective, type I steroidal aromatase inhibitor, suppressing oestrogen production from anabolic steroids or prohormones. It was formerly used in the treatment of oestrogen-receptor positive breast cancer in post-meopausal women. As it has poor oral bioavailability, it had to be administered by (fortnightly) intramuscular injection. It fell out of use with the subsequent development of cheaper, orally active aromatase inhibitors. Formestane is listed by the World Anti-Doping Agency as a substance prohibited from use by athletes. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor. It is a 17-oxo steroid, an enol, a hydroxy steroid and a 3-oxo-Delta(4) steroid. It derives from a hydride of an androstane.

CAS Number566-48-3
PubChem CID11273
IUPAC Name(8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Molecular FormulaC19H26O3
Molecular Weight302.4
XLogP2.6
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity589
SMILES
C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
InChI
InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
InChIKey
OSVMTWJCGUFAOD-KZQROQTASA-N
Chemical Structure
2D Structure
2D structure of Formestane
CAS: 566-48-3
CID: 11273
Formula: C19H26O3
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass302.18819469
Monoisotopic Mass302.18819469
Topological Polar Surface Area54.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RDA79414-01Forestine

Alternative Products

CatalogName
B1381-500Formestane
MBS6074225-01Formestane (4-Hydroxyandrost-4-ene-3,17-dione, 4-OHA, CGP-32349, Lentaron)

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