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Asoxime dimethanesulfonate

CAT: 0931-T70641-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70641-01Size:25 mg
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CAS Number
144252-71-1
Target
Others
Related Pathways
Others
Bioactivity
Asoxime dimethanesulfonate is an oxime reactivator used for counteracting intoxication by nerve agents. It is able to reactivate acetylcholinesterase (AChE) inhibited by cytotoxic nerve agents such as sarin or soman.
Smiles
CS([O-])(=O)=O.CS([O-])(=O)=O.NC(=O)c1cc[n+](COC[n+]2ccccc2C=NO)cc1
Molecular Formula
C16H22N4O9S2
Molecular Weight
478.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Asoxime dimethanesulfonate
CAS Number144252-71-1
PubChem CID135490237
IUPAC Name1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide;methanesulfonate
Molecular FormulaC16H22N4O9S2
Molecular Weight478.5
Topological Polar Surface Area224
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity435
SMILES
CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=[N+](C(=C1)/C=N/O)COC[N+]2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C14H14N4O3.2CH4O3S/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;2*1-5(2,3)4/h1-9H,10-11H2,(H-,15,19);2*1H3,(H,2,3,4)
InChIKey
KSZUKDJWBYNHBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asoxime dimethanesulfonate
CAS: 144252-71-1
CID: 135490237
Formula: C16H22N4O9S2
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass478.08282064
Monoisotopic Mass478.08282064
Topological Polar Surface Area224 Ų
Heavy Atom Count31
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5813181Asoxime dimethanesulfonate
C4052-10Asoxime (chloride)
TRC-A790000-100MGAsoxime Chloride
BUP21408-01Asoxime dichloride
HY-106901A-01Asoxime (dichloride)
TRC-A820485-100MGAsoxime Dimesylate
CS-T-96052Asoxime-d4 Chloride
MBS5811184Asoxime chloride monohydrate
HY-106901ASAsoxime-d4 (dichloride)
A4700-25Ethylene dimethanesulfonate

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