guanabenz   

GtoPdb Ligand ID: 5443

Abbreviated name: GBZ
Synonyms: NSC 68982 | Wy 8678 | Wytensin®
guanabenz is an approved drug (FDA (1982))
Compound class: Synthetic organic
Comment: Guanabenz is an antihypertensive drug.
Marketed formulations may contain guanabenz acetate (PubChem CID 5702062).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 76.76
Molecular weight 230.01
XLogP 3.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(=NN=Cc1c(Cl)cccc1Cl)N
Isomeric SMILES NC(=N/N=C/c1c(Cl)cccc1Cl)N
InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
InChI Key WDZVGELJXXEGPV-YIXHJXPBSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1982))
IUPAC Name
2-[(E)-[(2,6-dichlorophenyl)methylidene]amino]guanidine
International Nonproprietary Names
INN number INN
3108 guanabenz
Synonyms
NSC 68982 | Wy 8678 | Wytensin®
Database Links
CAS Registry No. 5051-62-7
ChEMBL Ligand CHEMBL420
DrugBank Ligand DB00629
DrugCentral Ligand 3952
GtoPdb PubChem SID 178102094
PubChem CID 5702063
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Search UniChem for chemical match using the InChIKey WDZVGELJXXEGPV-YIXHJXPBSA-N
Search UniChem for chemicals with the same backbone WDZVGELJXXEGPV
Wikipedia Guanabenz