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PhTX-433 TFA

CAT: 0931-T34057-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T34057-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
276684-27-6
Target
Others
Related Pathways
Others
Bioactivity
PhTX-433, also known as Philanthotoxin 433, is a polyamine-containing toxin, which blocks NMDA-gated ion channels; originally isolated from the venom of the wasp Philanthus triangulum.
Smiles
OC(=O)C(F)(F)F.CCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCCCNCCCNCCCN
Molecular Formula
C25H42F3N5O5
Molecular Weight
549.636
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Philanthotoxin 433 tris(trifluoroacetate) salt
CAS Number276684-27-6
PubChem CID16219836
IUPAC NameN-[(2S)-1-[4-[3-(3-aminopropylamino)propylamino]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide;tris(2,2,2-trifluoroacetic acid)
Molecular FormulaC29H44F9N5O9
Molecular Weight777.7
Topological Polar Surface Area240
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count18
Heavy Atom Count52
Formal Charge0
Complexity554
SMILES
CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCCNCCCNCCCN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C23H41N5O3.3C2HF3O2/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-4-3-13-25-15-6-16-26-14-5-12-24;3*3-2(4,5)1(6)7/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30);3*(H,6,7)/t21-;;;/m0.../s1
InChIKey
UROZAUWUTBOQNV-YDULTXHLSA-N
Chemical Structure
2D Structure
2D structure of Philanthotoxin 433 tris(trifluoroacetate) salt
CAS: 276684-27-6
CID: 16219836
Formula: C29H44F9N5O9
MW: 777.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight777.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count18
Exact Mass777.29953146
Monoisotopic Mass777.29953146
Topological Polar Surface Area240 Ų
Heavy Atom Count52
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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