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Substance Name: Tetronolide, 10-O-(4-(acetylamino)-2,3,4,6-tetradeoxy-3-C-methyl-3-nitrohexopyranosyl)-, 13-acetate
RN: 81319-48-4
InChIKey: ITCUZSSSIABROD-FFFHJRNKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H56-N2-O14

Molecular Weight

  • 824.9154
 
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Names and Synonyms

Synonyms

  • 21-O-Acetyl-17-O-tetronitrosyl tetronolide
  • Antibiotic F1 monoacetate

Systematic Name

  • Tetronolide, 10-O-(4-(acetylamino)-2,3,4,6-tetradeoxy-3-C-methyl-3-nitrohexopyranosyl)-, 13-acetate

Registry Numbers

CAS Registry Number

  • 81319-48-4

System Generated Number

  • 0081319484

Structure Descriptors

InChI

1S/C43H56N2O14/c1-20-10-13-30(58-32-18-41(7,45(53)54)36(24(5)56-32)44-40(52)55-9)21(2)15-29-31(57-25(6)47)16-26(19-46)17-43(29)38(50)33(39(51)59-43)37(49)42(8)28(20)12-11-27-34(42)22(3)14-23(4)35(27)48/h10-12,15-16,19,22-24,27-32,34-36,48,50H,13-14,17-18H2,1-9H3,(H,44,52)/b20-10-,21-15-/t22-,23-,24+,27-,28-,29+,30-,31-,32-,34+,35-,36-,41-,42+,43?/m0/s1

InChIKey

ITCUZSSSIABROD-FFFHJRNKSA-N

Smiles

C[C@H]1C[C@@H]([C@@H]([C@@H]2[C@@H]1[C@]3([C@@H](C=C2)/C(=C\C[C@@H](/C(=C/[C@@H]4[C@H](C=C(CC45C(=C(C3=O)C(=O)O5)O)C=O)OC(=O)C)/C)O[C@H]6C[C@]([C@H]([C@H](O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   European Patent Application. Vol. #42172,