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Varespladib methyl 50mg

CAT: 0628-A20883-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A20883-50Size:50 mg
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CAS Number
172733-08-3

Chemical Information

Varespladib Methyl

Varespladib methyl is a methyl ester resulting from the formal condensation of the carboxy group of varespladib with methanol. It is a potential therapy for the treatment of snakebite envenomings in which toxicity depends on the action of PLA2s. It has a role as an anti-inflammatory drug, an antidote, a prodrug and an EC 3.1.1.4 (phospholipase A2) inhibitor. It is a primary carboxamide, a member of benzenes, a member of indoles, a methyl ester and an aromatic ether. It is functionally related to a varespladib.

CAS Number172733-08-3
PubChem CID9886917
IUPAC Namemethyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetate
Molecular FormulaC22H22N2O5
Molecular Weight394.4
XLogP3.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity604
SMILES
CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)OC)C(=O)C(=O)N
InChI
InChI=1S/C22H22N2O5/c1-3-15-20(21(26)22(23)27)19-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(19)29-13-18(25)28-2/h4-11H,3,12-13H2,1-2H3,(H2,23,27)
InChIKey
VJYDOJXJUCJUHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Varespladib Methyl
CAS: 172733-08-3
CID: 9886917
Formula: C22H22N2O5
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass394.15287181
Monoisotopic Mass394.15287181
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity604
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M26858-01Varespladib methyl
CS-O-60229Varespladib Methyl Impurity
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HY-13402S-01Varespladib-d7
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