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Bufotenidine (iodide)

CAT: 0804-HY-168360-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-168360-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bufotenidine iodide is a component found in toad venom and belongs to the indole alkaloid class[1].
CAS Number
5787-02-0
UNSPSC
12352005
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Inflammation/Immunology
Smiles
OC1=CC2=C(NC=C2CC[N+](C)(C)C)C=C1.[I-]
Molecular Formula
C13H19IN2O
Molecular Weight
346.21
References & Citations
[1]Lili Shen, et al. Bufotenines-loaded liposome exerts anti-inflammatory, analgesic effects and reduce gastrointestinal toxicity through altering lipid and bufotenines metabolism. Biomed Pharmacother. 2022 Sep:153:113492.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CAS Number5787-02-0
PubChem CID870054
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
Molecular FormulaC10H9ClFN3S2
Molecular Weight289.8
XLogP3.8
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity250
SMILES
CNC1=NN=C(S1)SCC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C10H9ClFN3S2/c1-13-9-14-15-10(17-9)16-5-6-7(11)3-2-4-8(6)12/h2-4H,5H2,1H3,(H,13,14)
InChIKey
FPJIPEPFRMCRTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CAS: 5787-02-0
CID: 870054
Formula: C10H9ClFN3S2
MW: 289.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.8
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass288.9910455
Monoisotopic Mass288.9910455
Topological Polar Surface Area91.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity250
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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