Fumaric acid monoethyl ester magnesium salt - CAS 83918-60-9
Catalog: |
BB037109 |
Product Name: |
Fumaric acid monoethyl ester magnesium salt |
CAS: |
83918-60-9 |
Synonyms: |
magnesium;(E)-4-ethoxy-4-oxobut-2-enoate |
IUPAC Name: | magnesium;(E)-4-ethoxy-4-oxobut-2-enoate |
Description: | Fumaric acid monoethyl ester magnesium salt (CAS# 83918-60-9) is the salt of Fumaric Acid Monoethyl Ester (F500385), which is an anti-psoriatic fumaric acid ester. Fumaric Acid Monoethyl Ester inhibited thymidine-14C incorporation into DNA by cultured human lymphocytes. Fumaric Acid Monoethyl Ester has been shown to evoke transient increase in intracellular free calcium concentration and inhibit proliferation of human keratinocytes. |
Molecular Weight: | 310.54 |
Molecular Formula: | C12H14MgO8 |
Canonical SMILES: | CCOC(=O)C=CC(=O)[O-].CCOC(=O)C=CC(=O)[O-].[Mg+2] |
InChI: | InChI=1S/2C6H8O4.Mg/c2*1-2-10-6(9)4-3-5(7)8;/h2*3-4H,2H2,1H3,(H,7,8);/q;;+2/p-2/b2*4-3+; |
InChI Key: | ZHLRSUSHKGQBNV-SYWGCQIGSA-L |
Boiling Point: | 261.6 °C at 760 mmHg |
LogP: | 0.22640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112624211-A | Graphene-loaded multi-metal oxide-coated cathode material, and preparation method and application thereof | 20201218 |
CN-110636838-A | Pharmaceutical composition comprising dimethyl fumarate | 20170623 |
WO-2016074684-A1 | Fumaric acid derivatives for medical use | 20141111 |
JP-2016513744-A | Curable acrylate or methacrylate composition | 20130314 |
JP-6236473-B2 | Curable acrylate or methacrylate composition | 20130314 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 310.0539091 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.0539091 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 133 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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