Bufotalin

CAT: 1106-ALX-350-282-M005Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1106-ALX-350-282-M005Size:5 mg

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CAS Number

471-95-4

Product Name Alternative

(3β,5β,16β) -16- (Acetyloxy) -3-,14-dihydroxybufa-20,22-dienolide, 3β,14,16β-Trihydroxy-5β bufa-20,22-dienolide 16-acetate

Certification

RUO

Target

ATPase

Type

Inhibitor

Source

Isolated from Bufonis venom.

Stability

As indicated on product label or CoA when stored as recommended.

Purity

≥98% (HPLC)

Solubility

Soluble in 100% ethanol or chloroform.

Molecular Formula

C 26 H 36 O 6

Molecular Weight

444.6

Shipping Conditions

Blue Ice

Storage Conditions

+4°C

Appearance

White to off-white solid.

Chemical Information

Bufotalin

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

CAS Number	471-95-4
PubChem CID	12302120
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 Formula	C26H36O6
Molecular Weight	444.6
XLogP	2.5
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	878

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

CAS: 471-95-4

CID: 12302120

Formula: C26H36O6

MW: 444.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	444.6
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	444.25118886
Monoisotopic Mass	444.25118886
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	878
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
BML-AP303-0010	Bufalin

Alternative Products

Catalog	Name
GTR19168943-01	Bufotalin
FB42755	γ-Bufotalin
HY-N0878R	Bufotalin (Standard)
A12024-50	Bufotalin 50mg
A12024-5	Bufotalin 5mg
A12024-1	Bufotalin 1mg
A12024-100	Bufotalin 100mg
A12024-10	Bufotalin 10mg
A12024-500	Bufotalin 500mg
A12024-25	Bufotalin 25mg

Bufotalin

Chemical Information

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