tolazoline   

GtoPdb Ligand ID: 7310

Synonyms: TCMDC-125842
tolazoline is an approved drug (FDA (1948))
Compound class: Synthetic organic
Comment: Tolazoline is a non-selective α-adrenoceptor antagonist.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 24.39
Molecular weight 160.1
XLogP 1.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES c1ccc(cc1)CC1=NCCN1
Isomeric SMILES c1ccc(cc1)CC1=NCCN1
InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
InChI Key JIVZKJJQOZQXQB-UHFFFAOYSA-N
References
1. Jasper JR, Lesnick JD, Chang LK, Yamanishi SS, Chang TK, Hsu SA, Daunt DA, Bonhaus DW, Eglen RM. (1998)
Ligand efficacy and potency at recombinant alpha2 adrenergic receptors: agonist-mediated [35S]GTPgammaS binding.
Biochem. Pharmacol., 55 (7): 1035-43. [PMID:9605427]
2. Teskin O, Uydeş-Dogan BS, Enç Y, Alp FI, Kaleli D, Keser S, Iyigün T, Bilgen F, Dagsali S, Ozdemir O. (2006)
Comparative effects of tolazoline and nitroprusside on human isolated radial artery.
Ann. Thorac. Surg., 81 (1): 125-31. [PMID:16368348]