XYLOMETAZOLINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Salt
UNII: X5S84033NZ
Parent Compound: XYLOMETAZOLINE

Structure
InChI Key YGWFCQYETHJKNX-UHFFFAOYSA-N
Smile Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl
InChI
InChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25ClN2
Molecular Weight 280.84
AlogP 3.15
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 24.39
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 86

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1256400
EPA CompTox DTXSID3045223
FDA SRS X5S84033NZ
PubChem 14634
SureChEMBL SCHEMBL41837
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