benserazide   

GtoPdb Ligand ID: 5150

Synonyms: Madopar® | Ro 4-4602 | serazide
benserazide is an approved drug
Compound class: Synthetic organic
Comment: Marketed formulations may contain benserazide hydrochloride (PubChem CID 26964).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 7
Rotatable bonds 6
Topological polar surface area 148.07
Molecular weight 257.1
XLogP -0.11
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OCC(C(=O)NNCc1ccc(c(c1O)O)O)N
Isomeric SMILES OCC(C(=O)NNCc1ccc(c(c1O)O)O)N
InChI InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)
InChI Key BNQDCRGUHNALGH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
International Nonproprietary Names
INN number INN
3026 benserazide
Synonyms
Madopar® | Ro 4-4602 | serazide
Database Links
CAS Registry No. 322-35-0
ChEBI CHEBI:64187
ChEMBL Ligand CHEMBL1096979
DrugCentral Ligand 314
GtoPdb PubChem SID 178101842
PubChem CID 2327
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Wikipedia Benserazide