Basic information
- CAS
57101-48-1- Standard SMILES
Oc1cc(Cl)c(NC2=NCCN2)c(Cl)c1- InChIKey
NTWBRPXHGAXREI-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2N3O
- Average molar mass
- 246.09 g/mol
- Monoisotopic mass
- 245.0122673
Overview
4-Hydroxyclonidine is a dichlorobenzene.
Names & identifiers
- Preferred name
- 4-Hydroxyclonidine
- IUPAC
- 3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)phenol
- English name
- para-Hydroxyclonidine
- Molecular formula
- C9H9Cl2N3O
- Molecular weight
- 246.09
Names & synonyms
4-Hydroxyclonidine57101-48-1para-HydroxyclonidineEQF32CAD7UDTXSID50205720ST-666Phenol, 3,5-dichloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)-RefChem:99304DTXCID801282114-Hydroxy Clonidine3,5-dichloro-4-(4,5-dihydro-1h-imidazol-2-ylamino)phenol3,5-DICHLORO-4-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO]PHENOL
Show more names
3,5-Dichloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenolp-HydroxyclonidineClonidine Impurity 13UNII-EQF32CAD7Uorb3022162CHEMBL3277535SCHEMBL10414088SCHEMBL10875708
Database identifiers
- CAS
57101-48-1- PubChem CID
- 92660
- DTXSID
DTXSID50205720- ChEMBL
CHEMBL3277535- ChEBI
CHEBI:178136- UNII
- EQF32CAD7U
- Nikkaji
- J1.578.483K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
LogP1.52
Physicochemical properties
- FDA UNII
- 32 CAD7U · EQF32CAD7U
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
UsesA metabolite of Clonidine.
Suppliers5 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Additional notes
DefinitionChEBI: 4-Hydroxyclonidine is a dichlorobenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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