fenoldopam   Click here for help

GtoPdb Ligand ID: 939

Synonyms: Corlopam® | SK&F-82526J | SK-82526-J
Approved drug
fenoldopam is an approved drug (FDA (1997))
Compound class: Synthetic organic
Comment: The approved drug fenoldopam is a racemic mixture of (+)-SKF-82526 and (-)-SKF-82526 stereoisomers. We show the non-isomeric structure to represent this mixture. Marketed formulations may contain fenoldopam mesylate (PubChem CID 49659).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 72.72
Molecular weight 305.08
XLogP 2.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O
Isomeric SMILES Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O
InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
InChI Key TVURRHSHRRELCG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1997))
IUPAC Name Click here for help
6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
International Nonproprietary Names Click here for help
INN number INN
4673 fenoldopam
Synonyms Click here for help
Corlopam® | SK&F-82526J | SK-82526-J
Database Links Click here for help
BindingDB Ligand 50020681
CAS Registry No. 67227-56-9
ChEBI CHEBI:5002
ChEMBL Ligand CHEMBL588
DrugBank Ligand DB00800
DrugCentral Ligand 1153
GtoPdb PubChem SID 135651054
PubChem CID 3341
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Wikipedia Fenoldopam