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Substance Name: Verodoxin
RN: 6875-10-1
UNII: MRI4T5X655
InChIKey: XKWTVJAWBRFKLO-KZVRXWHRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H46-O10

Molecular Weight

  • 578.6944
 
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Names and Synonyms

Name of Substance

  • Verodoxin

Synonyms

  • 4-18-00-02478 (Beilstein Handbook Reference)
  • BRN 0072010
  • EINECS 229-976-8
  • Gitaloxigenin + digitalose
  • Gitaloxigenin + digitalose [German]
  • UNII-MRI4T5X655
  • Verodoxin

Systematic Names

  • (3beta,5beta,16beta)-3-((6-Deoxy-3-O-methyl-D -galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate
  • Strospeside, 16-formate

Registry Numbers

CAS Registry Number

  • 6875-10-1

FDA UNII

  • MRI4T5X655

System Generated Number

  • 0006875101

Structure Descriptors

InChI

1S/C31H46O10/c1-16-25(34)27(37-4)26(35)28(40-16)41-19-7-9-29(2)18(12-19)5-6-21-20(29)8-10-30(3)24(17-11-23(33)38-14-17)22(39-15-32)13-31(21,30)36/h11,15-16,18-22,24-28,34-36H,5-10,12-14H2,1-4H3/t16-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28+,29+,30-,31+/m1/s1

InChIKey

XKWTVJAWBRFKLO-KZVRXWHRSA-N

Smiles

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC=O)O)C)C)O)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 231ug/kg (0.231mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 988, 1962.
guinea pig LDLo intravenous 237ug/kg (0.237mg/kg) CARDIAC: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
guinea pig LDLo oral 2370ug/kg (2.37mg/kg) CARDIAC: OTHER CHANGES

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
mouse LD50 oral 51870ug/kg (51.87mg/kg) CARDIAC: OTHER CHANGES

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
mouse LD50 subcutaneous 2890ug/kg (2.89mg/kg) CARDIAC: OTHER CHANGES

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.