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Substance Name: Kijanimicin
RN: 78798-08-0
InChIKey: AAHYWTFSLXCSNH-SLJZAQRGSA-N

Note

  • From Actinomadura, A.kijaniata; branched tetrasaccharide unit as well as novel nitrosugar moiety glycosidically linked to the aglycone.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C67-H100-N2-O24

Molecular Weight

  • 1317.517
 
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Names and Synonyms

Name of Substance

  • Kijanimicin

Synonyms

  • BRN 4948103
  • From Actinomadura Kijaniata
  • Kijanimicin sodium salt
  • Kijanmycin
  • NSC 329515
  • Sch 25663

Systematic Name

  • Kijanimicin

Registry Numbers

CAS Registry Number

  • 78798-08-0

System Generated Number

  • 0078798080

Structure Descriptors

InChI

1S/C67H100N2O24/c1-29-15-18-45(88-52-27-65(11,69(79)80)60(38(10)87-52)68-64(78)82-14)30(2)20-40-21-39(28-70)33(5)26-67(40)62(76)53(63(77)93-67)61(75)66(12)42(29)17-16-41-54(66)31(3)19-32(4)57(41)91-51-24-46(56(74)35(7)84-51)89-50-25-47(90-48-22-43(71)55(73)34(6)83-48)59(37(9)86-50)92-49-23-44(72)58(81-13)36(8)85-49/h15-17,20-21,31-38,40-52,54-60,70-74,76H,18-19,22-28H2,1-14H3,(H,68,78)/b29-15-,30-20-/t31-,32-,33+,34-,35-,36-,37-,38+,40+,41-,42-,43+,44+,45-,46+,47+,48-,49+,50-,51-,52-,54+,55-,56-,57-,58-,59-,60-,65-,66+,67?/m0/s1

InChIKey

AAHYWTFSLXCSNH-SLJZAQRGSA-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]4C=C([C@@H](CC45C(=C(C3=O)C(=O)O5)O)C)CO)/C)O[C@H]6C[C@]([C@H]([C@H](O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)O)O[C@H]8C[C@H]([C@H]([C@@H](O8)C)O[C@@H]9C[C@H]([C@H]([C@@H](O9)C)OC)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg) GASTROINTESTINAL: PERITONITIS Toxicologist. Vol. 4, Pg. 6, 1984.
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #33840,
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #33840,
rat LD50 intraperitoneal 125mg/kg (125mg/kg) GASTROINTESTINAL: PERITONITIS Toxicologist. Vol. 4, Pg. 6, 1984.