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Aptiganel (hydrochloride)

CAT: 0804-HY-110097-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110097-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Aptiganel hydrochloride (Cerestat) is a non-competitive NMDA receptor antagonist with neuroprotective effect.
CAS Number
137160-11-3
Product Name Alternative
CNS 1102
UNSPSC
12352005
Target
IGluR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/aptiganel-hydrochloride.html
Purity
99.80
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
N=C(N(C)C1=CC=CC(CC)=C1)NC2=CC=CC3=C2C=CC=C3.Cl
Molecular Formula
C20H22ClN3
Molecular Weight
339.86
References & Citations
[1]Kroppenstedt SN, Schneider GH, Thomale UW, Unterberg AW. Neuroprotective properties of aptiganel HCL (Cerestat) following controlled cortical impact injury. Acta Neurochir Suppl. 1998;71:114-116. |[2]McBurney RN. Development of the NMDA ion-channel blocker, aptiganel hydrochloride, as a neuroprotective agent for acute CNS injury. Int Rev Neurobiol. 1997;40:173-195.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
NMDA Receptor

Chemical Information

Aptiganel Hydrochloride

See also: Aptiganel (has active moiety).

CAS Number137160-11-3
PubChem CID60839
IUPAC Name1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride
Molecular FormulaC20H22ClN3
Molecular Weight339.9
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity406
SMILES
CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N.Cl
InChI
InChI=1S/C20H21N3.ClH/c1-3-15-8-6-11-17(14-15)23(2)20(21)22-19-13-7-10-16-9-4-5-12-18(16)19;/h4-14H,3H2,1-2H3,(H2,21,22);1H
InChIKey
CKAKVKWRMCAYJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aptiganel Hydrochloride
CAS: 137160-11-3
CID: 60839
Formula: C20H22ClN3
MW: 339.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass339.1502254
Monoisotopic Mass339.1502254
Topological Polar Surface Area41.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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