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Substance Name: Anthelvencine A, salicylate (1:2)
RN: 11020-70-5
InChIKey: YVTGZWONIMMQCV-LTCKWSDVSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C19-H27-N9-O3.2C7-H6-O3

Molecular Weight

  • 703.709
 
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Names and Synonyms

  • Anthelvencine A, salicylate (1:2)

Registry Numbers

CAS Registry Number

  • 11020-70-5

Other Registry Number

  • 102583-49-3

System Generated Number

  • 0011020705

Molecular Formulas

Molecular Formula

  • C19-H27-N9-O3.2C7-H6-O3

Molecular Formula Fragments

  • C19-H27-N9-O3
  • C7-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C19H25N9O3.2C7H6O3/c1-28-9-11(7-14(28)19(31)23-5-4-15(20)21)26-18(30)13-6-10(8-24-13)25-17(29)12-2-3-16(22)27-12;2*8-6-4-2-1-3-5(6)7(9)10/h6-9,12,24H,2-5H2,1H3,(H3,20,21)(H2,22,27)(H,23,31)(H,25,29)(H,26,30);2*1-4,8H,(H,9,10)/t12-;;/m0../s1

InChIKey

YVTGZWONIMMQCV-LTCKWSDVSA-N

Smiles

n1(cc(NC(=O)c2[nH]cc(c2)NC(=O)[C@H]2N=C(CC2)N)cc1C(=O)NCCC(=N)N)C.C(c1c(cccc1)O)(=O)O.C(c1c(cccc1)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 2, Pg. 1185, 1978.
mouse LD50 oral > 500mg/kg (500mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 789, 1965.