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Diroximel Fumarate

CAT: 0572-TRC-D491485-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D491485-100MGSize:100 mg
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CAS Number
1577222-14-0
Synonyms
2-(2,5-Dioxopyrrolidin-1-yl)ethyl Methyl Fumarate
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COC(=O)\C=C\C(=O)OCCN1C(=O)CCC1=O
Molecular Formula
C11 H13 N O6
Molecular Weight
255.22
InChI
InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+
Additionnal Information
IUPAC name: O4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] O1-methyl (E)-but-2-enedioate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Diroximel Fumarate

Multiple Sclerosis (MS) is a chronic, debilitating neurological disease that can lead to profound cognitive and physical symptoms, severely affecting quality of life. It is the main cause of neurological disability not caused by trauma in the young adult population of both North America and Europe. Relapsing-remitting forms of MS lead to neurological symptoms that resolve and recur periodically. More than 80% of patients suffering from this disease have relapsing-remitting MS. Diroximel fumarate is a new drug from the fumarate class formulated to treat various relapsing forms of MS. This drug is bioequivalent to [Dimethyl fumarate](initially manufactured in 2013), but is less likely to cause gastrointestinal side effects, owing to its unique chemical structure. Diroximel fumarate was formulated by Alkermes in collaboration with Biogen, and was approved by the FDA in October 2019 and by the EMA in November 2021.

CAS Number1577222-14-0
PubChem CID73330464
IUPAC Name4-O-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
Molecular FormulaC11H13NO6
Molecular Weight255.22
XLogP-0.9
Topological Polar Surface Area90
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity384
SMILES
COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O
InChI
InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKey
YIMYDTCOUQIDMT-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of Diroximel Fumarate
CAS: 1577222-14-0
CID: 73330464
Formula: C11H13NO6
MW: 255.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.22
XLogP3-0.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass255.07428713
Monoisotopic Mass255.07428713
Topological Polar Surface Area90 Ų
Heavy Atom Count18
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T4271-01Diroximel fumarate
A20797-10Diroximel fumarate 10mg
AR-D07280-01Diroximel Fumarate Impurity A
HY-100375RDiroximel fumarate (Standard)
A20797-200Diroximel fumarate 200mg
A20797-100Diroximel fumarate 100mg
AR-D07274-01Diroximel Fumarate-d4
A20797-50Diroximel fumarate 50mg
A20797-25Diroximel fumarate 25mg
A20797-5Diroximel fumarate 5mg

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