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Substance Name: Telocinobufatoxin
RN: 72093-20-0
InChIKey: NVQQTFUNFWUIQD-KAQSRPFMSA-N

Molecular Formula

  • C38-H58-N4-O9

Molecular Weight

  • 714.895
 
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Names and Synonyms

Results Name

  • Telocinobufatoxin

Synonym

  • Telocinobufatoxin

Systematic Name

  • Bufa-20,22-dienolide, 3-((8-((4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)-1,8-dioxooctyl)oxy)-5,14-dihydroxy-, (3beta(S),5beta)-

Registry Numbers

CAS Registry Number

  • 72093-20-0

System Generated Number

  • 0072093200

Structure Descriptors

InChI

1S/C38H58N4O9/c1-35-17-13-25(51-32(45)10-6-4-3-5-9-30(43)42-29(33(46)47)8-7-21-41-34(39)40)22-37(35,48)19-15-28-27(35)14-18-36(2)26(16-20-38(28,36)49)24-11-12-31(44)50-23-24/h11-12,23,25-29,48-49H,3-10,13-22H2,1-2H3,(H,42,43)(H,46,47)(H4,39,40,41)/t25-,26+,27-,28+,29-,35+,36+,37-,38-/m0/s1

InChIKey

NVQQTFUNFWUIQD-KAQSRPFMSA-N

Smiles

C(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)CCCCC(O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@@]([C@@H]3CC[C@@]2(C1)O)(CC[C@@H]4c1coc(cc1)=O)O)C)C)=O