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Emixustat hydrochloride

CAT: 0013-GTR19176743-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176743-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Emixustat hydrochloride
CAS Number
1141934-97-5
Product Name Alternative
Emixustat, Emixustat hydrochloride, Emixustat Hydrochloride, inhibit, Inhibitor, ACU 4429, ACU 4429 Hydrochloride, ACU4429, ACU-4429, ACU4429 Hydrochloride, ACU-4429 Hydrochloride, ACU-4429 hydrochloride
Purity
98.44% (May vary between batches)
Solubility
DMSO:40 mg/mL (133.4 mM)
Smiles
Cl.NCC[C@@H] (O) c1cccc (OCC2CCCCC2) c1
Molecular Formula
C16H26ClNO2
Molecular Weight
299.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Emixustat Hydrochloride

See also: Emixustat (has active moiety).

CAS Number1141934-97-5
PubChem CID60162270
IUPAC Name(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;hydrochloride
Molecular FormulaC16H26ClNO2
Molecular Weight299.83
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity241
SMILES
C1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O.Cl
InChI
InChI=1S/C16H25NO2.ClH/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;1H/t16-;/m1./s1
InChIKey
BPZWRYOUJMDQSY-PKLMIRHRSA-N
Chemical Structure
2D Structure
2D structure of Emixustat Hydrochloride
CAS: 1141934-97-5
CID: 60162270
Formula: C16H26ClNO2
MW: 299.83
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.83
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass299.1652068
Monoisotopic Mass299.1652068
Topological Polar Surface Area55.5 Ų
Heavy Atom Count20
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 Count2
Compound Is CanonicalizedYes

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HY-19720-01Emixustat
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