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Leucomethylene blue mesylate

CAT: 0931-T7003-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T7003-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1236208-20-0
Target
Beta Amyloid, Microtubule Associated
Related Pathways
Neuroscience, Cytoskeletal Signaling
Purity
0.9999
Bioactivity
Leucomethylene blue mesylate (TRx0237 mesylate) is a second-generation tau protein aggregation inhibitor for the treatment of Alzheimer's disease (AD) and frontotemporal dementia.
Smiles
CS(O)(=O)=O.CS(O)(=O)=O.CN(C)c1ccc2Nc3ccc(cc3Sc2c1)N(C)C
Molecular Formula
C16H19N3S·2CH4O3S
Molecular Weight
477.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydromethylthionine Mesylate
CAS Number1236208-20-0
PubChem CID60150609
IUPAC Namemethanesulfonic acid;3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine
Molecular FormulaC18H27N3O6S3
Molecular Weight477.6
Topological Polar Surface Area169
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity396
SMILES
CN(C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)N(C)C.CS(=O)(=O)O.CS(=O)(=O)O
InChI
InChI=1S/C16H19N3S.2CH4O3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2*1-5(2,3)4/h5-10,17H,1-4H3;2*1H3,(H,2,3,4)
InChIKey
SPCMQFLNOVTUBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydromethylthionine Mesylate
CAS: 1236208-20-0
CID: 60150609
Formula: C18H27N3O6S3
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass477.10619911
Monoisotopic Mass477.10619911
Topological Polar Surface Area169 Ų
Heavy Atom Count30
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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