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Rislenemdaz hydrochloride

CAT: 1410-M16024Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M16024Size:1 Each
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Description
Rislenemdaz (MK 0657; CERC 301) is a potent, orally bioavailable, brain‐penetrant, NR2B-selective NMDA receptor (GluN2B) antagonist with Ki and IC 50 of 8.1 nM and 3.6 nM respectively.
CAS Number
808733-06-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
394.875
Molecular Formula
C19H24ClFN4O2
Notes
Research use only, not for human use.
Receptor
IGluR

Chemical Information

4-Methylbenzyl (3S,4R)-3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate hydrochloride
CAS Number808733-06-4
PubChem CID69056570
IUPAC Name(4-methylphenyl)methyl (3S,4R)-3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate;hydrochloride
Molecular FormulaC19H24ClFN4O2
Molecular Weight394.9
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity439
SMILES
CC1=CC=C(C=C1)COC(=O)N2CC[C@@H]([C@@H](C2)F)CNC3=NC=CC=N3.Cl
InChI
InChI=1S/C19H23FN4O2.ClH/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18;/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23);1H/t16-,17-;/m1./s1
InChIKey
HWKVRAXYRIAQPT-GBNZRNLASA-N
Chemical Structure
2D Structure
2D structure of 4-Methylbenzyl (3S,4R)-3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate hydrochloride
CAS: 808733-06-4
CID: 69056570
Formula: C19H24ClFN4O2
MW: 394.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass394.1571819
Monoisotopic Mass394.1571819
Topological Polar Surface Area67.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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