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Emixustat

CAT: 0013-GTR19205945-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19205945-02Size:1 ml x 10 mM (in DMSO)
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Description
Emixustat
CAS Number
1141777-14-1
Smiles
NCC[C@@H] (O) c1cccc (OCC2CCCCC2) c1
Molecular Formula
C16H25NO2
Molecular Weight
263.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Emixustat

Emixustat has been used in trials studying the treatment of Geographic Atrophy, Age-Related Macular Degeneration, and Dry Age-related Macular Degeneration.

CAS Number1141777-14-1
PubChem CID25221720
IUPAC Name(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
Molecular FormulaC16H25NO2
Molecular Weight263.37
XLogP2.8
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity241
SMILES
C1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O
InChI
InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m1/s1
InChIKey
WJIGGYYSZBWCGC-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Emixustat
CAS: 1141777-14-1
CID: 25221720
Formula: C16H25NO2
MW: 263.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.37
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass263.188529040
Monoisotopic Mass263.188529040
Topological Polar Surface Area55.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity241
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

Alternative Products

CatalogName
HY-19720-01Emixustat
T11188L-01Emixustat hydrochloride
319694Emixustat HCl
A12336-2Emixustat 2mg
HY-19720A-01Emixustat (hydrochloride)
A12336-10Emixustat 10mg
A12336-5Emixustat 5mg
A12336-100Emixustat 100mg
A12336-50Emixustat 50mg
A12336-25Emixustat 25mg

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