prazosin   

GtoPdb Ligand ID: 503

Synonyms: CP-12299-1 | Hypovase® | Minipress® | prazosine
prazosin is an approved drug (FDA (1976))
Compound class: Synthetic organic
Comment: Marketed formulations may contain prazosin hydrochloride (PubChem CID 68546).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 106.95
Molecular weight 383.16
XLogP 1.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1
Isomeric SMILES COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1
InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
InChI Key IENZQIKPVFGBNW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1976))
IUPAC Name
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-furan-2-ylmethanone
International Nonproprietary Names
INN number INN
2593 prazosin
Synonyms
CP-12299-1 | Hypovase® | Minipress® | prazosine
Database Links
BindingDB Ligand 29568
CAS Registry No. 19216-56-9
ChEBI CHEBI:8364
ChEMBL Ligand CHEMBL2
DrugBank Ligand DB00457
DrugCentral Ligand 4209
GtoPdb PubChem SID 135650849
PubChem CID 4893
RCSB PDB Ligand XRA
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Wikipedia Prazosin