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Substance Name: Digitoxin, 16-propionate
RN: 74035-82-8
InChIKey: IXTWNMHHIVJEGM-ZEQVWBIASA-N

Molecular Weight

  • 837.0062
 
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Names and Synonyms

Synonym

  • 16-Propionyldigitalinum verum

Systematic Name

  • Digitoxin, 16-propionate

Registry Numbers

CAS Registry Number

  • 74035-82-8

System Generated Number

  • 0074035828

Structure Descriptors

InChI

1S/C44H68O15/c1-7-33(47)57-32-19-44(51)28-9-8-25-15-26(10-12-42(25,5)27(28)11-13-43(44,6)38(32)24-14-34(48)52-20-24)56-37-18-31(58-35-16-29(45)39(49)21(2)53-35)41(23(4)55-37)59-36-17-30(46)40(50)22(3)54-36/h14,21-23,25-32,35-41,45-46,49-51H,7-13,15-20H2,1-6H3/t21-,22-,23-,25-,26+,27+,28-,29+,30+,31+,32?,35-,36-,37-,38+,39-,40-,41-,42+,43-,44?/m1/s1

InChIKey

IXTWNMHHIVJEGM-ZEQVWBIASA-N

Smiles

CCC(=O)OC1CC2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=CC(=O)OC5)C)C)O[C@@H]6C[C@@H]([C@@H]([C@H](O6)C)O[C@@H]7C[C@@H]([C@@H]([C@H](O7)C)O)O)O[C@@H]8C[C@@H]([C@@H]([C@H](O8)C)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 819ug/kg (0.819mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 988, 1962.