Fingolimod EP Impurity B HCl

CAT: 1596-AR-F09379-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F09379-01Size:10 Units

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CAS Number

162361-44-6

API Name

Fingolimod

Chemical Information

Heptyl Deoctyl Fingolimod Hydrochloride

CAS Number	162361-44-6
PubChem CID	45261202
IUPAC Name	2-amino-2-[2-(4-heptylphenyl)ethyl]propane-1,3-diol;hydrochloride
Molecular Formula	C18H32ClNO2
Molecular Weight	329.9
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Heavy Atom Count	22
Formal Charge	0
Complexity	246

SMILES

CCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl

InChI

InChI=1S/C18H31NO2.ClH/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)12-13-18(19,14-20)15-21;/h8-11,20-21H,2-7,12-15,19H2,1H3;1H

InChIKey

ZMHVFZNMKCLXQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 162361-44-6

CID: 45261202

Formula: C18H32ClNO2

MW: 329.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Exact Mass	329.2121570
Monoisotopic Mass	329.2121570
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-F10102-01	Fingolimod EP Impurity E HCl
AR-F01457-01	Fingolimod EP Impurity B
AR-F10101-01	Fingolimod EP Impurity G HCl (Mono-O-Acetyl Fingolimod HCl)
AR-F11182-01	Fingolimod EP Impurity F HCl Salt
AR-F01458-01	Fingolimod EP Impurity A
AR-F01454-01	Fingolimod Impurity A HCl
AR-F01452-01	Fingolimod EP Impurity I
AR-F01451-01	Fingolimod EP Impurity H
AR-F01479-01	Fingolimod EP Impurity D
AR-P15691-01	Fingolimod EP Impurity E