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MK-8998 hydrochloride

CAT: 0013-GTR19242498-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242498-01Size:10 mg
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Description
MK-8998 is a T-type calcium channel blocker investigated for schizophrenia treatment. While it showed potential in preclinical models, it failed to demonstrate efficacy in a Phase II trial for acute psychosis, as measured by PANSS scores at four weeks. This compound is used in neuroscience research to study calcium channel function in vitro and in vivo.
CAS Number
2249709-38-2
Smiles
[C@@H] (NC (CC1=CC=C (C (C) C) C=C1) =O) (C) C2=CC=C (OCC (F) (F) F) C=N2.Cl
Molecular Formula
C20H24ClF3N2O2
Molecular Weight
416.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Suvecaltamide Hydrochloride
CAS Number2249709-38-2
PubChem CID155908469
IUPAC Name2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide;hydrochloride
Molecular FormulaC20H24ClF3N2O2
Molecular Weight416.9
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity463
SMILES
C[C@H](C1=NC=C(C=C1)OCC(F)(F)F)NC(=O)CC2=CC=C(C=C2)C(C)C.Cl
InChI
InChI=1S/C20H23F3N2O2.ClH/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23;/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26);1H/t14-;/m1./s1
InChIKey
KGFZANSMUKVDNC-PFEQFJNWSA-N
Chemical Structure
2D Structure
2D structure of Suvecaltamide Hydrochloride
CAS: 2249709-38-2
CID: 155908469
Formula: C20H24ClF3N2O2
MW: 416.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass416.1478402
Monoisotopic Mass416.1478402
Topological Polar Surface Area51.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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