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YS 3643

CAT: 0013-GTR19192236Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192236Size:25 mg
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Description
YS 3643 is a small molecule biochemical compound for research use. It is employed in both in vitro and in vivo studies to investigate biological pathways and mechanisms within areas such as cell signaling and enzymology.
CAS Number
1099-73-6
Smiles
[I-].OC (C=1C=CC=CC1) (C2=CC (OC) =CC=C2OC) CC (C) [N+] (C) (C) C
Molecular Formula
C21H30INO3
Molecular Weight
471.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzenepropanaminium, gamma-hydroxy-2,5-dimethoxy-N,N,N,alpha-tetramethyl-gamma-phenyl-, iodide (1:1)
CAS Number1099-73-6
PubChem CID14191
IUPAC Name[4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium iodide
Molecular FormulaC21H30INO3
Molecular Weight471.4
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity402
SMILES
CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+](C)(C)C.[I-]
InChI
InChI=1S/C21H30NO3.HI/c1-16(22(2,3)4)15-21(23,17-10-8-7-9-11-17)19-14-18(24-5)12-13-20(19)25-6;/h7-14,16,23H,15H2,1-6H3;1H/q+1;/p-1
InChIKey
BIMKPYYUQXWQKN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Benzenepropanaminium, gamma-hydroxy-2,5-dimethoxy-N,N,N,alpha-tetramethyl-gamma-phenyl-, iodide (1:1)
CAS: 1099-73-6
CID: 14191
Formula: C21H30INO3
MW: 471.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass471.12704
Monoisotopic Mass471.12704
Topological Polar Surface Area38.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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