General
Preferred name
PENTETATE CALCIUM TRISODIUM
Synonyms
Calcium trisodium dtpa ()
NSC-34249 ()
Calcium Trisodium Pentetate ()
P&D ID
PD051963
CAS
12111-24-9
Tags
natural product
drug
Drug Status
approved
Max Phase
Phase 4
Drug indication
Chelating Agent (plutonium)
First approval
2004
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 Approved Drugs
ChEMBL Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
497.03
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
0
Rotatable Bonds
16
Ring Count
0
Aromatic Ring Count
0
cLogP
-18.73
TPSA
210.37
Fraction CSP3
0.64
Chiral centers
0.0
Largest ring
0.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
