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Barbamide

CAT: 0931-TN10704-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10704-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
174630-03-6
Target
Calcium Channel
Related Pathways
Metabolism, Membrane transporter/Ion channel
Bioactivity
Barbamide, which can be found in the Lyngbya majuscula strain, exhibits molluscicidal activity.
Smiles
[C@@H](CC1=CC=CC=C1)(N(C(/C=C(\C[C@@H](C(Cl)(Cl)Cl)C)/OC)=O)C)C2=NC=CS2
Molecular Formula
C20H23Cl3N2O2S
Molecular Weight
461.833
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Barbamide

Barbamide has been reported in Lyngbya majuscula with data available.

CAS Number174630-03-6
PubChem CID10695334
IUPAC Name(E)-6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide
Molecular FormulaC20H23Cl3N2O2S
Molecular Weight461.8
XLogP5.4
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity536
SMILES
CC(C/C(=C\C(=O)N(C)C(CC1=CC=CC=C1)C2=NC=CS2)/OC)C(Cl)(Cl)Cl
InChI
InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3/b16-13+
InChIKey
UGNRFJOMRFTXSQ-DTQAZKPQSA-N
Chemical Structure
2D Structure
2D structure of Barbamide
CAS: 174630-03-6
CID: 10695334
Formula: C20H23Cl3N2O2S
MW: 461.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.8
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass460.054582
Monoisotopic Mass460.054582
Topological Polar Surface Area70.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N13992Barbamide

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