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Substance Name: Veratroylzygadenine
RN: 31329-58-5
InChIKey: LQZYJVWXEFXUJG-IWIHHSMWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C36-H51-N-O10

Molecular Weight

  • 657.796
 
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Names and Synonyms

Results Name

  • Veratroylzygadenine

Synonyms

  • 4,9-Epoxycevane-3-beta,4-beta,14,15-alpha,16-beta,20-hexol 3-veratrate
  • 4-21-00-06777 (Beilstein Handbook Reference)
  • BRN 0075325
  • Veratroylzygadenine

Systematic Name

  • Cevane-3-beta,4-beta,14,15-alpha,16-beta,20-hexol, 4,9-epoxy-, 3-veratrate

Registry Numbers

CAS Registry Number

  • 31329-58-5

System Generated Number

  • 0031329585

Structure Descriptors

InChI

1S/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20?,21?,24?,25?,26-,27-,28?,29+,30-,32-,33+,34+,35-,36-/m0/s1

InChIKey

LQZYJVWXEFXUJG-IWIHHSMWSA-N

Smiles

C1[C@@]23[C@@H]([C@@]4([C@H]([C@H](O)[C@@H]5[C@@H]([C@@H]14)C[N@@]1C[C@@H](C)CC[C@@H]1[C@@]5(C)O)O)O)CC[C@@H]1[C@@]2(CC[C@@H]([C@@]1(O3)O)OC(c1cc(c(OC)cc1)OC)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 9933ug/kg (9.933mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Journal of Pharmacology and Experimental Therapeutics. Vol. 120, Pg. 412, 1957.
mouse LD50 intravenous 770ug/kg (0.77mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Doklady Akademii Nauk Uzbekskoi SSR. Proceedings of the Academy of Sciences of the Uzbek SSR Vol. (8), Pg. 47, 1984.