2-Iodo-3-oxo-4-azaandrostane-17-carboxylic acid

For Research Use Only.
Category
Impurities
Cat.No.
NP3132
CAS
104239-97-6
Product Name
2-Iodo-3-oxo-4-azaandrostane-17-carboxylic acid
Structure

Product Details

Description
An impurity of Finasteride. Finasteride is a 4-azasteroid analog of testosterone that competitively blocks type II 5α-reductase activity with 100-fold greater affinity than for the type I enzyme.
Synonyms
3-Oxo-4-aza-5α-αndrost-1-ene-17β-carboxylic Acid;
IUPAC Name
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
Molecular Weight
317.42
Molecular Formula
C19H27NO3
Canonical SMILES
CC12CCC3C(C1CCC2C(=O)O)CCC4C3(C=CC(=O)N4)C
InChI
InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h8,10-15H,3-7,9H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,15+,18-,19+/m0/s1
InChIKey
FDESQZBVTKLIQN-MLGOENBGSA-N
Melting Point
>280 °C
Purity
> 95%
Appearance
Off-White Solid
Form
Powder
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