3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate (2R,3R)-2,3-dihydroxysuccinate

Name: 3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate (2R,3R)-2,3-dihydroxysuccinate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

For Research Use Only.

Category

Impurities

Cat.No.

NP3475

CAS

239463-85-5

Product Name

3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate (2R,3R)-2,3-dihydroxysuccinate

Structure

Product Details

Description

5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile (2R,3R)-2,3-dihydroxybutanedioate is an intermediate of Silodosin, which is an α1-adrenergic receptor antagonist used for the treatment of benign prostatic hyperplasia.

Synonyms

5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-7-carbonitrile-1H-indole (2R,3R)-2,3-dihydroxybutanedioate (1:1); (R)-5-(2-Aminopropyl)-1-(3-benzyloxypropyl)indoline-7-carbonitrile tartaric acid; (R)-3-(5-(2-Aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate (2R,3R)-2,3-dihydroxysuccinate; 1H-Indole-7-carbonitrile, 5-[(2R)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)

IUPAC Name

3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2R,3R)-2,3-dihydroxybutanedioic acid

Molecular Weight

513.54

Molecular Formula

C22H25N3O2.C4H6O6

Canonical SMILES

CC(CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOC(=O)C3=CC=CC=C3)N.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O2.C4H6O6/c1-16(24)12-17-13-19-8-10-25(21(19)20(14-17)15-23)9-5-11-27-22(26)18-6-3-2-4-7-18;5-1(3(7)8)2(6)4(9)10/h2-4,6-7,13-14,16H,5,8-12,24H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m11/s1

InChIKey

KYUCVOVGODORNE-NUFNRNBZSA-N

Melting Point

>180°C (dec.)

Purity

95%

Solubility

Soluble in DMSO (Slightly, Sonicated), Ethanol (Slightly, Heated, Sonicated), Methanol (Slightly)

Appearance

Off-white to Pale Yellow Solid

Storage

Store at -20°C under inert atmosphere

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