U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38O7
Molecular Weight 486.5971
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUFOTALIN 3-ACETATE

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC(C)=O)C5=COC(=O)C=C5)[C@@]1(C)CC[C@@H](C2)OC(C)=O

InChI

InChIKey=NHHVQEFHQTULER-BJNYOQPHSA-N
InChI=1S/C28H38O7/c1-16(29)34-20-9-11-26(3)19(13-20)6-7-22-21(26)10-12-27(4)25(18-5-8-24(31)33-15-18)23(35-17(2)30)14-28(22,27)32/h5,8,15,19-23,25,32H,6-7,9-14H2,1-4H3/t19-,20+,21+,22-,23+,25+,26+,27-,28+/m1/s1

HIDE SMILES / InChI
Bufotailin acetate has garnered little to no interest as a pharmacologically active compound. However, it is used as a precursor in the synthesis of cinobyfagin and deacetylcinobufagin.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
BUFOTALIN 3-ACETATE
MI  
Common Name English
BUFA-20,22-DIENOLIDE, 3,16-BIS(ACETYLOXY)-14-HYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-
Common Name English
BUFOTALIN 3-ACETATE [MI]
Common Name English
NSC-135689
Code English
3-O-ACETYLBUFOTALIN
Common Name English
3.BETA.,16.BETA.-DIACETOXY-14-HYDROXY-5.BETA.-BUFA-20,22-DIENOLIDE
Common Name English
Code System Code Type Description
CAS
4029-69-0
Created by admin on Sat Dec 16 10:42:47 GMT 2023 , Edited by admin on Sat Dec 16 10:42:47 GMT 2023
PRIMARY
MERCK INDEX
m2752
Created by admin on Sat Dec 16 10:42:47 GMT 2023 , Edited by admin on Sat Dec 16 10:42:47 GMT 2023
PRIMARY Merck Index
NSC
135689
Created by admin on Sat Dec 16 10:42:47 GMT 2023 , Edited by admin on Sat Dec 16 10:42:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID90960725
Created by admin on Sat Dec 16 10:42:47 GMT 2023 , Edited by admin on Sat Dec 16 10:42:47 GMT 2023
PRIMARY
PUBCHEM
73425421
Created by admin on Sat Dec 16 10:42:47 GMT 2023 , Edited by admin on Sat Dec 16 10:42:47 GMT 2023
PRIMARY
FDA UNII
69UUG5050T
Created by admin on Sat Dec 16 10:42:47 GMT 2023 , Edited by admin on Sat Dec 16 10:42:47 GMT 2023
PRIMARY