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Substance Name: Trioxacarcin C
RN: 81781-28-4
InChIKey: KXLOPASAZGAWAW-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C42-H54-O20

Molecular Weight

  • 878.869
 
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Names and Synonyms

Synonyms

  • Antibiotic DC 45B2
  • DC-45-B2
  • Trioxacarcin A, 7''-deoxo-7''-hydroxy-

Systematic Name

  • Trioxacarcin C

Registry Numbers

CAS Registry Number

  • 81781-28-4

System Generated Number

  • 0081781284

Structure Descriptors

InChI

1S/C42H54O20/c1-16-10-21-27(31(48)29-28(32(21)51-7)23(11-22(45)30(29)47)57-20-13-37(5,49)38(6,54-14-20)58-19(4)44)33-26(16)34-35-41(60-33,39(15-55-39)42(61-34,62-35)36(52-8)53-9)59-25-12-24(46)40(50,17(2)43)18(3)56-25/h10,17-18,20,22-25,34-36,43,45-46,48-50H,11-15H2,1-9H3

InChIKey

KXLOPASAZGAWAW-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@]([C@@H]1O)(O)[C@@H](C)O)C)O[C@@]12Oc3c([C@@H]4O[C@@]([C@@]51OC5)(O[C@@H]24)C(OC)OC)c(cc1c(c2[C@@H](C[C@@H](O)C(c2c(c31)O)=O)O[C@@H]1CO[C@@]([C@@](C1)(O)C)(OC(C)=O)C)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1mg/kg (1mg/kg)   Journal of Antibiotics. Vol. 36, Pg. 1216, 1983.