2-Nitrodeamino Fingolimod

CAT: 0926-ZPA07788-01Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-ZPA07788-01Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

374077-88-0

Smiles

CCCCCCCCC1=CC=C (C=C1) CCC (CO) (CO) [N+] (=O) [O-]

Molecular Formula

C19H31NO4

Molecular Weight

337.45 g/mol

Controlled

Chemical Information

2-Nitro-2-(4-octylphenethyl)propane-1,3-diol

CAS Number	374077-88-0
PubChem CID	66837276
IUPAC Name	2-nitro-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
Molecular Formula	C19H31NO4
Molecular Weight	337.5
XLogP	4.9
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Heavy Atom Count	24
Formal Charge	0
Complexity	331

SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)[N+](=O)[O-]

InChI

InChI=1S/C19H31NO4/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(15-21,16-22)20(23)24/h9-12,21-22H,2-8,13-16H2,1H3

InChIKey

QVTZKTILXDEOOV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 374077-88-0

CID: 66837276

Formula: C19H31NO4

MW: 337.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.5
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	337.22530847
Monoisotopic Mass	337.22530847
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	331
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	1
Compound Is Canonicalized	Yes

Catalog	Name
ZKB82299-01	1-Hydroxy-3-nitrodeamino fingolimod
FA46838-01	Fingolimod
BJB03925-01	2- (4-Octylphenethyl) -fingolimod
FA27522-01	Fingolimod phosphate
SFB26251-01	Ortho-fingolimod
FA23612-01	Fingolimod hydrochloride
UWC82893-01	Fingolimod phosphate d4
BF164460	Fingolimod - Bio-X TM
BF164458	Fingolimod HCl - Bio-X TM
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide

Catalog	Name
TRC-N495780-25MG	2-Nitrodeamino Fingolimod
sc-487996	1-Hydroxy-3-nitrodeamino Fingolimod
TRC-H354150-250MG	2-Hydroxydecanal Fingolimod
RM-F091402-01	Fingolimod Impurity 2
417446	2-Dimethylamino Fingolimod
TRC-O293705-10MG	2-(4-Octylphenethyl)-fingolimod
413859-01	2- (4-Octylphenethyl) -fingolimod
TRC-M263335-100MG	2-(4-Methoxyphenyl)oxazolidine-fingolimod
457723-01	N-[2 (4- (-Octylphenyl) ) butanoic Acid] Fingolimod
TRC-O293855-10MG	N-[2(4-(-Octylphenyl))butanoic Acid] Fingolimod