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AR-13503

CAT: 0013-GTR19208263-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208263-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AR-13503
CAS Number
1254032-16-0
Field of Research
Cell Biology, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
N (C (C (CN) C1=CC=C (CO) C=C1) =O) C2=CC3=C (C=C2) C=NC=C3
Molecular Formula
C19H19N3O2
Molecular Weight
321.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AR-13324 M1 metabolite
CAS Number1254032-16-0
PubChem CID134128281
IUPAC Name(2S)-3-amino-2-[4-(hydroxymethyl)phenyl]-N-isoquinolin-6-ylpropanamide
Molecular FormulaC19H19N3O2
Molecular Weight321.4
XLogP1.6
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity409
SMILES
C1=CC(=CC=C1CO)[C@@H](CN)C(=O)NC2=CC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C19H19N3O2/c20-10-18(14-3-1-13(12-23)2-4-14)19(24)22-17-6-5-16-11-21-8-7-15(16)9-17/h1-9,11,18,23H,10,12,20H2,(H,22,24)/t18-/m1/s1
InChIKey
LTXBFJFJUIJOQE-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of AR-13324 M1 metabolite
CAS: 1254032-16-0
CID: 134128281
Formula: C19H19N3O2
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass321.147726857
Monoisotopic Mass321.147726857
Topological Polar Surface Area88.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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