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YS 51

CAT: 0013-GTR19192233Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192233Size:25 mg
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Description
YS 51 is a small molecule biochemical compound utilized in research. It serves as a tool compound for investigating biological pathways in both cellular (in vitro) and animal (in vivo) experimental models, particularly within the fields of oncology and signal transduction research.
CAS Number
213179-96-5
Smiles
Br.Oc1cc2CCNC (Cc3ccc4ccccc4c3) c2cc1O
Molecular Formula
C20H20BrNO2
Molecular Weight
386.289
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

YS 51
CAS Number213179-96-5
PubChem CID24839745
IUPAC Name1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
Molecular FormulaC20H20BrNO2
Molecular Weight386.3
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity401
SMILES
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC4=CC=CC=C4C=C3.Br
InChI
InChI=1S/C20H19NO2.BrH/c22-19-11-16-7-8-21-18(17(16)12-20(19)23)10-13-5-6-14-3-1-2-4-15(14)9-13;/h1-6,9,11-12,18,21-23H,7-8,10H2;1H
InChIKey
HKIVLKJCAOUVKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YS 51
CAS: 213179-96-5
CID: 24839745
Formula: C20H20BrNO2
MW: 386.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass385.06774
Monoisotopic Mass385.06774
Topological Polar Surface Area52.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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