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Aptiganel

CAT: 0013-GTR19198232-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198232-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Aptiganel
CAS Number
137159-92-3
Product Name Alternative
Cerestat, CNS 1102, CNS1102, CNS-1102, Aptiganel, NMDA
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.13% (May vary between batches)
Smiles
N=C (NC1=CC=CC=2C=CC=CC21) N (C3=CC=CC (=C3) CC) C
Molecular Formula
C20H21N3
Molecular Weight
303.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aptiganel

Aptiganel is a member of naphthalenes.

CAS Number137159-92-3
PubChem CID60840
IUPAC Name1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
Molecular FormulaC20H21N3
Molecular Weight303.4
XLogP4.6
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity406
SMILES
CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N
InChI
InChI=1S/C20H21N3/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)
InChIKey
BFNCJMURTMZBTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aptiganel
CAS: 137159-92-3
CID: 60840
Formula: C20H21N3
MW: 303.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass303.173547683
Monoisotopic Mass303.173547683
Topological Polar Surface Area41.6 Ų
Heavy Atom Count23
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5776373Aptiganel
HY-110097-01Aptiganel (hydrochloride)
T38068-01Aptiganel hydrochloride
HY-110097RAptiganel (hydrochloride) (Standard)
217279CNS-1102 (N- (3-Ethylphenyl) -N-methyl-N'-1-naphthalenylguanidine Hydrochloride, Cerestat, Aptiganel Hydrochloride, NMDA Antagonist V) discontinued

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