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Arsenobetaine

CAT: 0931-TN7514-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7514-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64436-13-1
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Arsenobetaine, an organoarsenical and compatible solute, is discovered in numerous marine animals like lobsters and crabs, and terrestrial organisms such as earthworms and lichens. It protects against B. subtilis cell death caused by high osmolarity or extreme temperatures at 1 mM concentration. Notably, arsenobetaine exhibits non-toxicity to mice with an LD50 of 10 g/kg.
Smiles
C([As+](C)(C)C)C([O-])=O
Molecular Formula
C5H11AsO2
Molecular Weight
178.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arsenobetaine

Arsenobetaine is an organic salt.

CAS Number64436-13-1
PubChem CID47364
IUPAC Name2-trimethylarsoniumylacetate
Molecular FormulaC5H11AsO2
Molecular Weight178.06
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity87
SMILES
C[As+](C)(C)CC(=O)[O-]
InChI
InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey
SPTHHTGLGVZZRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arsenobetaine
CAS: 64436-13-1
CID: 47364
Formula: C5H11AsO2
MW: 178.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.06
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass177.997499
Monoisotopic Mass177.997499
Topological Polar Surface Area40.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity87.6
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

Alternative Products

CatalogName
sc-227279Arsenobetaine
TRC-A778500-100MGArsenobetaine Bromide
TRC-A778502-25MGArsenobetaine-d3 Bromide

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