General
Preferred name
ROTOXAMINE
Synonyms
ROTOXAMINE TARTRATE ()
MCN-R-73-Z ()
Carbinoxamine, (s)- ()
Twiston ()
Levocarbinoxamine tartrate ()
Carbinoxamine l-form d-tartrate ()
Twiston r-a ()
P&D ID
PD132931
CAS
5560-77-0
Tags
drug candidate
natural product
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
ChEMBL Drugs
Drug Repurposing Hub
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
290.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
3.4
TPSA
25.36
Fraction CSP3
0.31
Chiral centers
1.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Disease Area
allergy, ophthalmology, otolaryngology, dermatology
Indication
allergic rhinitis, conjunctivitis, vasomotor rhinitis, dermatographism
Target
HRH1
MOA
Histamine Receptor antagonist
Source data
