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MMB-4

CAT: 0013-GTR19250032-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250032-01Size:50 mg
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Description
MMB-4 is an oxime-based reactivator of organophosphate-inhibited cholinesterases. It is used in research to study countermeasures against nerve agent poisoning, with applications in both in vitro enzyme assays and in vivo therapeutic efficacy models.
CAS Number
2058-89-1
Field of Research
Neuroscience, Signal Transduction
Smiles
ON=CC1=CC=[N+] (C[N+]2=CC=C (C=C2) C=NO) C=C1.[Br-].[Br-]
Molecular Formula
C13H14Br2N4O2
Molecular Weight
418.084
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mmb-4
CAS Number2058-89-1
PubChem CID135545784
IUPAC Name(NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide
Molecular FormulaC13H14Br2N4O2
Molecular Weight418.08
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity276
SMILES
C1=C[N+](=CC=C1/C=N/O)C[N+]2=CC=C(C=C2)/C=N/O.[Br-].[Br-]
InChI
InChI=1S/C13H12N4O2.2BrH/c18-14-9-12-1-5-16(6-2-12)11-17-7-3-13(4-8-17)10-15-19;;/h1-10H,11H2;2*1H
InChIKey
ZKQNRRLCBJUEBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mmb-4
CAS: 2058-89-1
CID: 135545784
Formula: C13H14Br2N4O2
MW: 418.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.08
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass417.94630
Monoisotopic Mass415.94835
Topological Polar Surface Area72.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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