4-Aza-5androstan-1-ene-3-one-17carboxylic acid

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For Research Use Only.

Category

Impurities

Cat.No.

NP3133

CAS

140700-63-6

Product Name

4-Aza-5androstan-1-ene-3-one-17carboxylic acid

Structure

Product Details

Description

2-Iodo-3-Oxo-4-aza-5α-androst-17β-carboxylic Acid is a reactant in the synthesis of Duasteride (D735000), a dual inhibitor of 5α-reductase isoenzymes type 1 and 2; structurally related to Finasteride (F342000). Dutasteride is used in the treatment of benign prostatic hyperplasia.

Synonyms

2-Iodo-3-oxo-4-Azaandrostane-17-carboxylic Acid

IUPAC Name

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-8-iodo-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxylic acid

Molecular Weight

445.33

Molecular Formula

C19H27NO3

Canonical SMILES

CC12CCC3C(C1CCC2C(=O)O)CCC4C3(CC(C(=O)N4)I)C

InChI

InChI=1S/C19H28INO3/c1-18-8-7-12-10(11(18)4-5-13(18)17(23)24)3-6-15-19(12,2)9-14(20)16(22)21-15/h10-15H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13+,14?,15+,18-,19+/m0/s1

InChIKey

HNVXYVGSQMAWPL-WXHWEMMPSA-N

Purity

98.0%

Form

Powder

Packaging

100 mg

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