General
Preferred name
Tricaine
Synonyms
MS-222 ()
Ethyl m-Aminobenzoate, NSC 93790, Tricaine methanesulfonate ()
Ethyl 3-Aminobenzoate methanesulfonate ()
Tricaine methanesulfonate ()
Ethyl 3-Aminobenzoate (methanesulfonate) ()
Ethyl 3-aminobenzoate ()
P&D ID
PD014472
CAS
886-86-2
582-33-2
Tags
available
drug
Approved by
FDA
Drug Status
vet_approved
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Ethyl 3-Aminobenzoate can block the generation of action potentials via voltage-dependent Na+-channels. It is mainly used as an anesthetic for fish and also used for the euthanasia of all fish species especially zebrafish, which is commonly used in research. (BOC Sciences Bioactive Compounds)
DESCRIPTION Tricaine methanesulfonate (MS-222) (TMS) is an anesthetic. Many hatcheries and research studies use TMS to immobilize fish for marking or transport and to suppress sensory systems during invasive procedures. (TargetMol Bioactive Compound Library)
DESCRIPTION Ethyl 3-aminobenzoate binds to the conserved hydrophobic pocket of virus capsid protein, Kd = 2 μM. (Enamine Bioactive Compounds)
Compound Sets
11
Cayman Chemical Bioactives
DrugBank
DrugBank Approved Drugs
DrugCentral
Enamine Bioactive Compounds
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
165.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.45
TPSA
52.32
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
nAChR
Calcium Channel
Pathway
Membrane Transporter/Ion Channel
Metabolism
Solubility
DMSO/Water/Ethanol : 52 mg/mL
Source data