CAS 464-81-3
:Bufotoxin
Description:
Bufotoxin, with the CAS number 464-81-3, is a toxic compound primarily derived from the secretions of certain toads, notably the Bufo species. It is classified as a steroidal bufadienolide, which is a type of cardiac glycoside. Bufotoxin exhibits potent pharmacological effects, particularly on the cardiovascular system, where it can influence heart rate and contractility. Its mechanism of action involves the inhibition of the Na+/K+ ATPase enzyme, leading to increased intracellular sodium and calcium levels, which can result in arrhythmias and other cardiac disturbances. The substance is also known for its neurotoxic properties, affecting the central nervous system. Due to its toxicity, bufotoxin poses significant risks if ingested or improperly handled, and it has been studied for its potential medicinal applications, albeit with caution due to its dangerous effects. In traditional medicine, some cultures have explored its use, but safety and efficacy remain critical concerns. Overall, bufotoxin exemplifies the complex interplay between natural toxins and their potential therapeutic uses.
Formula:C40H60N4O10
InChI:InChI=1S/C40H60N4O10/c1-24(45)53-31-22-40(51)29-14-13-26-21-27(16-18-38(26,2)28(29)17-19-39(40,3)35(31)25-12-15-33(47)52-23-25)54-34(48)11-7-5-4-6-10-32(46)44-30(36(49)50)9-8-20-43-37(41)42/h12,15,23,26-31,35,51H,4-11,13-14,16-22H2,1-3H3,(H,44,46)(H,49,50)(H4,41,42,43)/t26-,27+,28+,29-,30+,31+,35+,38+,39-,40+/m1/s1
InChI key:InChIKey=HDTHCLKLBSPBIS-JBXNKDOXSA-N
SMILES:C[C@@]12[C@H]([C@@H](OC(C)=O)C[C@]1(O)[C@]3([C@](CC2)([C@]4(C)[C@](CC3)(C[C@@H](OC(CCCCCCC(N[C@@H](CCCNC(=N)N)C(O)=O)=O)=O)CC4)[H])[H])[H])C=5C=CC(=O)OC5
Synonyms:- L-Arginine, bufa-20,22-dienolide deriv.
- Arginine, N2-(7-carboxyheptanoyl)-, N2→3-ester with 3β,14,16β-trihydroxy-5β-bufa-20,22-dienolide 16-acetate, L-
- 5β-Bufa-20,22-dienolide, 3β,14,16β-trihydroxy-, 16-acetate, 3→N2-ester with N2-(7-carboxyheptanoyl)-L-arginine
- (3β,5β,16β)-16-(Acetyloxy)-3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14-hydroxybufa-20,22-dienolide
- Bufa-20,22-dienolide, 16-(acetyloxy)-3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14-hydroxy-, (3β,5β,16β)-
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