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Fingolimod hydrochloride

CAT: 0862-GP3498-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0862-GP3498-25mgSize:25 mg
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CAS Number
162359-56-0
MDL Number
MFCD00939512
HS Code
2922190090
Molecular Formula
C19H34ClNO2
Molecular Weight
343.93
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Fingolimod Hydrochloride

Fingolimod hydrochloride is the hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod). It has a role as an immunosuppressive agent, a prodrug and a sphingosine-1-phosphate receptor agonist. It contains a fingolimod(1+).

CAS Number162359-56-0
PubChem CID107969
IUPAC Name2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;hydrochloride
Molecular FormulaC19H34ClNO2
Molecular Weight343.9
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count23
Formal Charge0
Complexity258
SMILES
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl
InChI
InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H
InChIKey
SWZTYAVBMYWFGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fingolimod Hydrochloride
CAS: 162359-56-0
CID: 107969
Formula: C19H34ClNO2
MW: 343.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass343.2278070
Monoisotopic Mass343.2278070
Topological Polar Surface Area66.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-F805000-50MGFingolimod Hydrochloride
HY-12005-01Fingolimod (hydrochloride)
ESS0263-01Fingolimod-D4 Hydrochloride
MBS132007-01Fingolimod hydrochloride FTY720
TRC-E678610-250MGEthyl Fingolimod Hydrochloride
TRC-D291230-250MGDesethyl Fingolimod Hydrochloride
HY-11063S1-01Fingolimod-d4 (hydrochloride)
HY-12005R-01Fingolimod (hydrochloride) (Standard)
451788-01Heptyl Deoctyl Fingolimod Hydrochloride

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