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Substance Name: Denudatine
RN: 26166-37-0
InChIKey: OVXLNQAYPUEDSI-UQSSLJFWSA-N

Molecular Formula

  • C22-H33-N-O2

Molecular Weight

  • 343.508
 
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Names and Synonyms

Name of Substance

  • Denudatine

Synonyms

  • 16,17-Didehydro-21-ethyl-4-methyl-7,20-cycloatidane-11-beta,15-beta-diol
  • Denudatine

Systematic Name

  • 7,20-Cycloatidane-11,15-diol, 16,17-didehydro-21-ethyl-4-methyl-, (11-beta,15-beta)-

Registry Numbers

CAS Registry Number

  • 26166-37-0

System Generated Number

  • 0026166370

Structure Descriptors

InChI

1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14+,15-,16+,17-,18-,19-,20?,21+,22?/m1/s1

InChIKey

OVXLNQAYPUEDSI-UQSSLJFWSA-N

Smiles

C1[N@@]([C@@H]2[C@H]3[C@]45[C@H]([C@@]62[C@@H]([C@@]1(C)CCC6)C3)[C@H]([C@@H](C([C@H]5O)=C)CC4)O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 128mg/kg (128mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 3, Pg. 104, 1982.
mouse LD50 oral 290mg/kg (290mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 3, Pg. 104, 1982.
rat LD50 intravenous 130mg/kg (130mg/kg) CARDIAC: CHANGE IN RATE Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 3, Pg. 104, 1982.