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Substance Name: Digoxin, pentaformate
RN: 13241-43-5
InChIKey: XXQKBYWZPGTSQA-DHHAOGPWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H64-O19

Molecular Weight

  • 920.993
 
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Names and Synonyms

Synonym

  • Pentaformyl-digoxin

Systematic Name

  • Digoxin, pentaformate

Registry Numbers

CAS Registry Number

  • 13241-43-5

System Generated Number

  • 0013241435

Structure Descriptors

InChI

1S/C46H64O19/c1-24-12-37(65-43(59-23-51)40(24)63-39-16-33(55-19-47)41(58-22-50)25(2)60-39)64-42-26(3)61-38(17-34(42)56-20-48)62-29-8-10-44(4)28(14-29)6-7-31-32(44)15-35(57-21-49)45(5)30(9-11-46(31,45)53)27-13-36(52)54-18-27/h13,19-26,28-35,37-43,53H,6-12,14-18H2,1-5H3/t24-,25+,26+,28+,29-,30+,31+,32-,33-,34-,35+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46-/m0/s1

InChIKey

XXQKBYWZPGTSQA-DHHAOGPWSA-N

Smiles

O([C@@H]1[C@H]([C@@H](C)C[C@H](O1)O[C@H]1[C@@H](OC=O)C[C@@H](O[C@@H]1C)O[C@H]1CC[C@@]2([C@H]3C[C@@H](OC=O)[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@H]2C1)O)C=1COC(=O)C1)C)C)O[C@H]1C[C@H](OC=O)[C@H](OC=O)[C@H](O1)C)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 3515ug/kg (3.515mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

CARDIAC: OTHER CHANGES
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
guinea pig LDLo oral 8788ug/kg (8.788mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

CARDIAC: OTHER CHANGES
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
mouse LD50 oral 9660ug/kg (9.66mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

CARDIAC: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
mouse LD50 subcutaneous 9220ug/kg (9.22mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

CARDIAC: OTHER CHANGES
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.