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NC-174

CAT: 0013-GTR19193389-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193389-02Size:50 mg
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Description
NC-174 is a high-potency synthetic sweetener with a trisubstituted guanidine structure. It is utilized in research as a potent sweet-taste receptor agonist for in vitro assays and in vivo studies investigating taste transduction and sugar substitutes.
CAS Number
138460-25-0
Smiles
C (N=C (NC1=CC=C (C#N) C=C1) NCC (O) =O) (C2=CC=CC=C2) C3=CC=CC=C3
Molecular Formula
C23H20N4O2
Molecular Weight
384.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(((4-cyanophenyl)amino)((diphenylmethyl)amino)methylene)glycine

[N-(4-cyanophenyl)-N'-(diphenylmethyl)guanidine]acetic acid is a trisubstituted guanidine, carrying 4-cyanophenyl, diphenylmethyl and carboxymethyl substituents, which is known to act as a highly potent sweetening agent. It has a role as a sweetening agent and an epitope. It is a glycine derivative and a member of guanidines.

CAS Number138460-25-0
PubChem CID4447
IUPAC Name2-[[(benzhydrylamino)-(4-cyanoanilino)methylidene]amino]acetic acid
Molecular FormulaC23H20N4O2
Molecular Weight384.4
XLogP3.7
Topological Polar Surface Area97.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity573
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=NCC(=O)O)NC3=CC=C(C=C3)C#N
InChI
InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)
InChIKey
KGHMYJFHUHFOGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(((4-cyanophenyl)amino)((diphenylmethyl)amino)methylene)glycine
CAS: 138460-25-0
CID: 4447
Formula: C23H20N4O2
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass384.15862589
Monoisotopic Mass384.15862589
Topological Polar Surface Area97.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity573
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

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