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Safinamide Mesylate

CAT: 0607-A4368-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0607-A4368-500Size:500 mg
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Description
MAO-B inhibitor,potent,selective and reversible
CAS Number
202825-46-5
Product Name Alternative
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
Sequence
FCE-28073, PNU 151774E, methanesulfonate
Field of Research
Metabolism MAO
Purity
0.986
Form
A solid
Solubility
≥10.08 mg/mL in EtOH with gentle warming and ultrasonic; ≥16.1 mg/mL in DMSO; ≥84.6 mg/mL in H2O
Smiles
CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O
Molecular Formula
C17H19FN2O2·CH4O3S
Molecular Weight
398.45
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Safinamide Mesylate

See also: Safinamide (has active moiety).

CAS Number202825-46-5
PubChem CID3038502
IUPAC Name(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
Molecular FormulaC18H23FN2O5S
Molecular Weight398.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity438
SMILES
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O
InChI
InChI=1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m0./s1
InChIKey
YKOCHIUQOBQIAC-YDALLXLXSA-N
Chemical Structure
2D Structure
2D structure of Safinamide Mesylate
CAS: 202825-46-5
CID: 3038502
Formula: C18H23FN2O5S
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass398.13117117
Monoisotopic Mass398.13117117
Topological Polar Surface Area127 Ų
Heavy Atom Count27
Formal Charge0
Complexity438
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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