Molecule ID: 11957547

IUPAC Name: (2R,3S)-3-(6-aminopurin-9-yl)nonan-2-ol;hydrochloride

Description: The molecule is a hydrochloride salt obtained by reaction of (2R,3S)-EHNA with one equivalent of hydrochloric acid. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase. It has a role as an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and an EC 3.5.4.4 (adenosine deaminase) inhibitor. It contains a (2R,3S)-EHNA(1+).

SMILES: CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc21.Cl

SELFIES: [C][C][C][C][C][C][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2].[Cl]

InChI: InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m1./s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: nan