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Methalthiazide

CAT: 0013-GTR19241271-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241271-01Size:50 mg
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Description
Methalthiazide is a positive allosteric modulator of AMPA receptors, potentiating the activity of their natural agonists. This small molecule is utilized in neuroscience research, particularly in studies investigating synaptic plasticity and the glutamatergic hypothesis of schizophrenia, employing both in vitro and in vivo experimental models.
CAS Number
5611-64-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=S (=O) (N) C=1C=C2C (=CC1Cl) NC (N (C) S2 (=O) =O) CSCC=C
Molecular Formula
C12H16ClN3O4S3
Molecular Weight
397.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methalthiazide
CAS Number5611-64-3
PubChem CID178131
IUPAC Name6-chloro-2-methyl-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC12H16ClN3O4S3
Molecular Weight397.9
XLogP2.1
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity643
SMILES
CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC=C
InChI
InChI=1S/C12H16ClN3O4S3/c1-3-4-21-7-12-15-9-5-8(13)10(22(14,17)18)6-11(9)23(19,20)16(12)2/h3,5-6,12,15H,1,4,7H2,2H3,(H2,14,17,18)
InChIKey
BDNLIZHZILNCGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methalthiazide
CAS: 5611-64-3
CID: 178131
Formula: C12H16ClN3O4S3
MW: 397.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight397.9
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass396.9991472
Monoisotopic Mass396.9991472
Topological Polar Surface Area152 Ų
Heavy Atom Count23
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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