Products for Research Use Only
RegisterLogin

Bufotaline

CAT: 1410-M18583-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M18583-02Size:1 mL x 10 mM in DMSO
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Bufotaline is a kind of poisonous secretions of toads.
CAS Number
471-95-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
444.56
Molecular Formula
C26H36O6
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Bufotalin

Bufotalin is a steroid lactone. It is functionally related to a bufanolide.

CAS Number471-95-4
PubChem CID12302120
IUPAC Name[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Molecular FormulaC26H36O6
Molecular Weight444.6
XLogP2.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity878
SMILES
CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)O)O
InChI
InChI=1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21+,23+,24+,25-,26+/m1/s1
InChIKey
VOZHMAYHYHEWBW-NVOOAVKYSA-N
Chemical Structure
2D Structure
2D structure of Bufotalin
CAS: 471-95-4
CID: 12302120
Formula: C26H36O6
MW: 444.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass444.25118886
Monoisotopic Mass444.25118886
Topological Polar Surface Area93.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity878
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M31983Bufotenine

Alternative Products

CatalogName
AB2680Bufotaline
371242Bufotaline discontinued

Popular Products