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Fosmanogepix

CAT: 0926-RID76917Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-RID76917Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2091769-17-2
Smiles
C1=CC=NC (=C1) OCC2=CC=C (C=C2) CC3=NOC (=C3) C4=C ([N+] (=CC=C4) COP (=O) (O) [O-]) N
Molecular Formula
C22H21N4O6P
Molecular Weight
468.4 g/mol
Controlled
No

Chemical Information

Fosmanogepix

Fosmanogepix is under investigation in clinical trial NCT03604705 (An Efficacy and Safety Study of APX001 in Non-Neutropenic Patients With Candidemia).

CAS Number2091769-17-2
PubChem CID44123754
IUPAC Name[2-amino-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-1-ium-1-yl]methyl hydrogen phosphate
Molecular FormulaC22H21N4O6P
Molecular Weight468.4
XLogP1.6
Topological Polar Surface Area148
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity644
SMILES
C1=CC=NC(=C1)OCC2=CC=C(C=C2)CC3=NOC(=C3)C4=C([N+](=CC=C4)COP(=O)(O)[O-])N
InChI
InChI=1S/C22H21N4O6P/c23-22-19(4-3-11-26(22)15-31-33(27,28)29)20-13-18(25-32-20)12-16-6-8-17(9-7-16)14-30-21-5-1-2-10-24-21/h1-11,13,23H,12,14-15H2,(H2,27,28,29)
InChIKey
JQONJQKKVAHONF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fosmanogepix
CAS: 2091769-17-2
CID: 44123754
Formula: C22H21N4O6P
MW: 468.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.4
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass468.11987140
Monoisotopic Mass468.11987140
Topological Polar Surface Area148 Ų
Heavy Atom Count33
Formal Charge0
Complexity644
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

Alternative Products

CatalogName
BA1660-1Fosmanogepix
HY-119726AFosmanogepix (tautomerism)

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