General
Preferred name
IOTROXIC ACID
Synonyms
IOTROXATE MEGLUMINE ()
Acidum iotroxicum ()
SH-213 AB ()
SH-213AB ()
Biliscopin ()
SH 213 AB ()
Meglumine iotroxinate ()
Meglumine iotroxate ()
Iotroxamide ()
P&D ID
PD014393
CAS
51022-74-3
68890-05-1
Tags
drug candidate
drug
Drug Status
experimental
approved
withdrawn
Drug indication
Diagnostic Aid (radiopaque medium)
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
5
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
1215.53
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
14
Ring Count
2
Aromatic Ring Count
2
cLogP
5.34
TPSA
160.49
Fraction CSP3
0.27
Chiral centers
0.0
Largest ring
6.0
QED
0.14
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
