General
Preferred name
INDIGOTINDISULFONATE SODIUM
Synonyms
indigo carmine ()
Indigotine, 5,5ยกรค-indigodisulfonic acid sodium salt, Brilliant Indigo ()
Indigotine 85% ()
Indigo carmine- ()
INS-132 ()
C.i. acid blue 74 ()
Ci 73015 ()
Gardenia grun p-ac-8 ()
Bludigo ()
C.i. 73015 ()
Holunder p-ac-5 ()
Acid blue 74 ()
E-132 ()
C.i.food blue 1 ()
C.i. 75781 ()
Indigotindisulphonate sodium ()
INS NO.132 ()
Bleu covalac w 6504 ()
Indigocarmine ()
P&D ID
PD087985
CAS
16521-38-3
860-22-0
Tags
natural product
drug
available
Drug Status
approved
Max Phase
Phase 4
Drug indication
Diagnostic Aid (cystoscopy)
First approval
2022
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
3
ChEMBL Approved Drugs
ChEMBL Drugs
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
465.95
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
2
cLogP
-5.37
TPSA
172.6
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.25
Structural alerts
2
ene_five_het_E(44)
[#7]-[#6]=!@[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[!#6&!#1]-2
PAINS Family B
aggregator (Aggregator Advisor)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Source data
