Resibufogenin 100mg

CAT: 0628-A12023-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A12023-100Size:100 mg

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CAS Number

465-39-4

Chemical Information

Resibufogenin

Bufogenin is a steroid lactone of Chan su (toad venom), a Chinese medicine obtained from the skin venom gland of toads. A specific Na/K-ATPase protein inhibitor, it is used as a cardiotonic and central nervous system (CNS) respiratory agent, an analgesic and anesthetic, and as a remedy for ulcers. It has a role as an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is an epoxy steroid and a steroid lactone. It is functionally related to a bufanolide.

CAS Number	465-39-4
PubChem CID	6917974
IUPAC Name	5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
Molecular Formula	C24H32O4
Molecular Weight	384.5
XLogP	3.7
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	28
Formal Charge	0
Complexity	785

SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O

InChI

InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1

InChIKey

ATLJNLYIJOCWJE-CWMZOUAVSA-N

Chemical Structure

2D Structure

CAS: 465-39-4

CID: 6917974

Formula: C24H32O4

MW: 384.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	384.5
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	384.23005950
Monoisotopic Mass	384.23005950
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	785
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

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Alternative Products

Catalog	Name
464614-01	Resibufogenin
HY-N0815R-01	Resibufogenin (Standard)
HY-N13077	3-Oxo-resibufogenin
TN8131-01	3-epi-Resibufogenin
300028	Bufogenin (Resibufogenin, Recibufogenin)

Resibufogenin 100mg

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