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PHA 543613 dihydrochloride

CAT: 0926-FP26857-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FP26857-01Size:5 mg
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CAS Number
478148-58-2
Synonyms
N-[ (3R) -1-Azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide dihydrochloride; PHA 543613E
MDL Number
MFCD26936338
Smiles
C1CN2CCC1[C@H] (C2) NC (=O) C3=NC=C4C (=C3) C=CO4.Cl.Cl
Molecular Formula
C15H19Cl2N3O2
Molecular Weight
344.24 g/mol
Controlled
No

Chemical Information

PHA-543613 Dihydrochloride
CAS Number478148-58-2
PubChem CID11493927
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;dihydrochloride
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.2
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity381
SMILES
C1CN2CCC1[C@H](C2)NC(=O)C3=NC=C4C(=C3)C=CO4.Cl.Cl
InChI
InChI=1S/C15H17N3O2.2ClH/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18;;/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19);2*1H/t13-;;/m0../s1
InChIKey
USJDQOUQSDDWPO-GXKRWWSZSA-N
Chemical Structure
2D Structure
2D structure of PHA-543613 Dihydrochloride
CAS: 478148-58-2
CID: 11493927
Formula: C15H19Cl2N3O2
MW: 344.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass343.0854322
Monoisotopic Mass343.0854322
Topological Polar Surface Area58.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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