benserazide   Click here for help

GtoPdb Ligand ID: 5150

Synonyms: Madopar® | Ro 4-4602 | serazide
Approved drug
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
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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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3026 benserazide
Synonyms Click here for help
Madopar® | Ro 4-4602 | serazide
Database Links Click here for help
CAS Registry No. 322-35-0
ChEMBL Ligand CHEMBL1096979
DrugCentral Ligand 314
GtoPdb PubChem SID 178101842
PubChem CID 2327
Search Google for chemical match using the InChIKey BNQDCRGUHNALGH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BNQDCRGUHNALGH
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UniChem Compound Search for chemical match using the InChIKey BNQDCRGUHNALGH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BNQDCRGUHNALGH-UHFFFAOYSA-N
Wikipedia Benserazide