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Details

Stereochemistry ACHIRAL
Molecular Formula 2C15H16N2O2.2ClH.H2O
Molecular Weight 603.537
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAFAGREL HYDROCHLORIDE HEMIHYDRATE

SMILES

O.Cl.Cl.OC(=O)C1=CC=C2CC(CN3C=CN=C3)CCC2=C1.OC(=O)C4=CC=C5CC(CN6C=CN=C6)CCC5=C4

InChI

InChIKey=HPUSTZZITOBRFQ-UHFFFAOYSA-N
InChI=1S/2C15H16N2O2.2ClH.H2O/c2*18-15(19)14-4-3-12-7-11(1-2-13(12)8-14)9-17-6-5-16-10-17;;;/h2*3-6,8,10-11H,1-2,7,9H2,(H,18,19);2*1H;1H2

HIDE SMILES / InChI

Description

Nafagrel [DP 1904, SR 96325] is a thromboxane A2 synthetase inhibitor that was undergoing clinical trials with Daiichi Seiyaku, now Daiichi Pharmaceutical, for the diabetic angiopathies, lupus nephritis and Raynaud's disease in Japan. However the development of Nafagrel has been discontinued.

Originator

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
Japanese normal male volunteers received repeated oral doses of 200 mg every 12 h for 4 doses, or 400 mg every 24 h for 2 doses, or 200 mg every 12 h for 14 doses.
Route of Administration: Oral
In Vitro Use Guide
In the Sephadex-induced hyperresponsiveness model, Nafagrel at the concentrations of 3 x 10(-7) to approximately 3 x 10(-6) M, reduced the augmented contraction.